 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer15_STD_LCPBE_augccpVDZ.in
 Output=26_junionone_conformer15_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-238807.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    238816.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=26_junionone_conformer15_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=030000000
 0,3/108=0300000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=300000000,108=300000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:24:18 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "26_junionone_conformer15_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.529110000000      0.738170000000      1.520718000000
  C                                                -2.026745000000      0.339638000000      0.135970000000
  C                                                -0.893023000000     -0.304125000000     -0.756918000000
  C                                                 0.504969000000      0.154007000000     -0.577709000000
  C                                                 1.520990000000     -0.584013000000     -0.125283000000
  C                                                 2.904373000000     -0.104314000000      0.063302000000
  O                                                 3.757841000000     -0.865833000000      0.478807000000
  C                                                -2.812629000000      1.468108000000     -0.506868000000
  C                                                -2.698185000000     -1.062721000000      0.151340000000
  C                                                -1.361985000000     -1.699049000000     -0.295661000000
  C                                                 3.243168000000      1.336395000000     -0.261310000000
  H                                                -3.468386000000     -1.147602000000     -0.616388000000
  H                                                -3.114217000000     -1.391151000000      1.103934000000
  H                                                -1.177274000000     -0.145648000000     -1.802742000000
  H                                                -0.785318000000     -2.067458000000      0.551823000000
  H                                                -1.402565000000     -2.481159000000     -1.051891000000
  H                                                -0.900793000000      1.630410000000      1.475839000000
  H                                                -0.942765000000     -0.055057000000      1.986408000000
  H                                                -2.377267000000      0.957410000000      2.173373000000
  H                                                -3.180409000000      1.181340000000     -1.494152000000
  H                                                -2.194867000000      2.362917000000     -0.622846000000
  H                                                -3.675004000000      1.740830000000      0.107109000000
  H                                                 0.686365000000      1.193470000000     -0.838045000000
  H                                                 1.379098000000     -1.625731000000      0.138442000000
  H                                                 3.041928000000      1.555618000000     -1.311973000000
  H                                                 4.296861000000      1.503639000000     -0.052940000000
  H                                                 2.640948000000      2.022263000000      0.338103000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Aug 16 21:24:18 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.529110    0.738170    1.520718
      2          6           0       -2.026745    0.339638    0.135970
      3          6           0       -0.893023   -0.304125   -0.756918
      4          6           0        0.504969    0.154007   -0.577709
      5          6           0        1.520990   -0.584013   -0.125283
      6          6           0        2.904373   -0.104314    0.063302
      7          8           0        3.757841   -0.865833    0.478807
      8          6           0       -2.812629    1.468108   -0.506868
      9          6           0       -2.698185   -1.062721    0.151340
     10          6           0       -1.361985   -1.699049   -0.295661
     11          6           0        3.243168    1.336395   -0.261310
     12          1           0       -3.468386   -1.147602   -0.616388
     13          1           0       -3.114217   -1.391151    1.103934
     14          1           0       -1.177274   -0.145648   -1.802742
     15          1           0       -0.785318   -2.067458    0.551823
     16          1           0       -1.402565   -2.481159   -1.051891
     17          1           0       -0.900793    1.630410    1.475839
     18          1           0       -0.942765   -0.055057    1.986408
     19          1           0       -2.377267    0.957410    2.173373
     20          1           0       -3.180409    1.181340   -1.494152
     21          1           0       -2.194867    2.362917   -0.622846
     22          1           0       -3.675004    1.740830    0.107109
     23          1           0        0.686365    1.193470   -0.838045
     24          1           0        1.379098   -1.625731    0.138442
     25          1           0        3.041928    1.555618   -1.311973
     26          1           0        4.296861    1.503639   -0.052940
     27          1           0        2.640948    2.022263    0.338103
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524466   0.000000
     3  C    2.584301   1.580192   0.000000
     4  C    2.980289   2.636925   1.482020   0.000000
     5  C    3.709528   3.675297   2.510928   1.334789   0.000000
     6  C    4.742321   4.951596   3.890103   2.496951   1.476287
     7  O    5.622300   5.918795   4.844901   3.568960   2.334063
     8  C    2.508253   1.517992   2.624542   3.569081   4.810100
     9  C    2.546594   1.554889   2.158474   3.503161   4.255246
    10  C    3.044208   2.187340   1.542237   2.645541   3.095784
    11  C    5.129146   5.378042   4.477165   2.999314   2.583093
    12  H    3.447339   2.203691   2.713613   4.181295   5.045066
    13  H    2.687058   2.261676   3.094850   4.279479   4.862879
    14  H    3.456922   2.171568   1.095291   2.102484   3.207283
    15  H    3.059989   2.740107   2.198578   2.806348   2.824560
    16  H    4.122913   3.123701   2.255243   3.287497   3.606236
    17  H    1.092194   2.174652   2.954266   2.893612   3.651341
    18  H    1.090815   2.180577   2.755058   2.952006   3.287723
    19  H    1.092426   2.157665   3.518672   4.064627   4.780817
    20  H    3.465924   2.167187   2.825288   3.934119   5.205135
    21  H    2.770903   2.167424   2.970839   3.488615   4.768601
    22  H    2.758347   2.163546   3.559186   4.523180   5.697127
    23  H    3.267934   3.006443   2.178036   1.086813   2.089037
    24  H    3.994545   3.932232   2.776841   2.108184   1.083910
    25  H    5.439370   5.409861   4.387547   2.989953   2.880886
    26  H    6.083114   6.432618   5.540622   4.058982   3.474044
    27  H    4.520714   4.965827   4.370366   2.981862   2.874319
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216948   0.000000
     8  C    5.956653   7.042010   0.000000
     9  C    5.684624   6.467323   2.617524   0.000000
    10  C    4.568790   5.244680   3.489966   1.546012   0.000000
    11  C    1.515189   2.379594   6.062205   6.420725   5.515663
    12  H    6.493265   7.314178   2.698880   1.090789   2.200883
    13  H    6.241978   6.920399   3.295603   1.090130   2.263622
    14  H    4.488170   5.484477   2.637780   2.640574   2.172203
    15  H    4.207898   4.699950   4.210825   2.197486   1.089265
    16  H    5.044082   5.619796   4.228716   2.266796   1.088681
    17  H    4.414048   5.378492   2.759091   3.498267   3.799501
    18  H    4.301306   5.002591   3.468840   2.732098   2.843641
    19  H    5.785791   6.620825   2.762977   2.876202   3.766125
    20  H    6.411173   7.498186   1.091892   2.824180   3.611051
    21  H    5.706161   6.860991   1.093510   3.547913   4.159364
    22  H    6.833350   7.885432   1.093177   2.969180   4.164739
    23  H    2.723275   3.925404   3.525346   4.186223   3.585608
    24  H    2.155648   2.520260   5.249651   4.115991   2.776213
    25  H    2.160018   3.095618   5.910304   6.476564   5.569578
    26  H    2.130269   2.487508   7.124055   7.453764   6.506817
    27  H    2.160379   3.099733   5.546401   6.169145   5.502117
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.165283   0.000000
    13  H    7.051223   1.773206   0.000000
    14  H    4.910476   2.767768   3.708341   0.000000
    15  H    5.336300   3.067524   2.487165   3.064467   0.000000
    16  H    6.064781   2.497129   2.960651   2.463563   1.767496
    17  H    4.502948   4.322881   3.763959   3.738973   3.813315
    18  H    4.950799   3.787739   2.697983   3.797481   2.476405
    19  H    6.136823   3.661200   2.683754   4.297233   3.783326
    20  H    6.542651   2.505468   3.656794   2.422535   4.525170
    21  H    5.545871   3.734386   4.233202   2.953057   4.795300
    22  H    6.939770   2.984825   3.334284   3.666740   4.801157
    23  H    2.624937   4.774066   4.989586   2.489383   3.838129
    24  H    3.522605   4.929146   4.601856   3.534668   2.247377
    25  H    1.091993   7.083461   7.240040   4.575678   5.590011
    26  H    1.087041   8.224695   8.040040   5.978972   6.240754
    27  H    1.091961   6.948601   6.734970   4.884862   5.339550
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.852442   0.000000
    18  H    3.915182   1.761602   0.000000
    19  H    4.814159   1.766199   1.765741   0.000000
    20  H    4.095146   3.770830   4.318568   3.761106   0.000000
    21  H    4.927159   2.572095   3.771281   3.134894   1.768217
    22  H    4.932793   3.095458   3.771221   2.562677   1.766831
    23  H    4.232287   2.839726   3.491478   4.302349   3.922061
    24  H    3.144249   4.193923   3.357535   4.992378   5.597688
    25  H    6.009720   4.829341   5.417690   6.470948   6.236245
    26  H    7.025665   5.419303   5.834565   7.056828   7.621715
    27  H    6.209903   3.740578   4.458157   5.448358   6.160561
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.763698   0.000000
    23  H    3.116956   4.496049   0.000000
    24  H    5.409445   6.072780   3.062891   0.000000
    25  H    5.343281   6.867698   2.429905   3.871652   0.000000
    26  H    6.573103   7.976999   3.707867   4.282864   1.778405
    27  H    4.942123   6.326438   2.427059   3.865228   1.761049
                   26         27
    26  H    0.000000
    27  H    1.778745   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.529110    0.738170    1.520718
      2          6           0       -2.026745    0.339638    0.135970
      3          6           0       -0.893023   -0.304125   -0.756918
      4          6           0        0.504969    0.154007   -0.577709
      5          6           0        1.520990   -0.584013   -0.125283
      6          6           0        2.904373   -0.104314    0.063302
      7          8           0        3.757841   -0.865833    0.478807
      8          6           0       -2.812629    1.468108   -0.506868
      9          6           0       -2.698185   -1.062721    0.151340
     10          6           0       -1.361985   -1.699049   -0.295661
     11          6           0        3.243168    1.336395   -0.261310
     12          1           0       -3.468386   -1.147602   -0.616388
     13          1           0       -3.114217   -1.391151    1.103934
     14          1           0       -1.177274   -0.145648   -1.802742
     15          1           0       -0.785318   -2.067458    0.551823
     16          1           0       -1.402565   -2.481159   -1.051891
     17          1           0       -0.900793    1.630410    1.475839
     18          1           0       -0.942765   -0.055057    1.986408
     19          1           0       -2.377267    0.957410    2.173373
     20          1           0       -3.180409    1.181340   -1.494152
     21          1           0       -2.194867    2.362917   -0.622846
     22          1           0       -3.675004    1.740830    0.107109
     23          1           0        0.686365    1.193470   -0.838045
     24          1           0        1.379098   -1.625731    0.138442
     25          1           0        3.041928    1.555618   -1.311973
     26          1           0        4.296861    1.503639   -0.052940
     27          1           0        2.640948    2.022263    0.338103
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1821229           0.5349648           0.4880821
 Leave Link  202 at Mon Aug 16 21:24:18 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       611.8258063864 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.300000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.300000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:24:19 2021, MaxMem=  5637144576 cpu:              10.2 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.84D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Mon Aug 16 21:24:20 2021, MaxMem=  5637144576 cpu:               3.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:24:20 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer15_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:24:21 2021, MaxMem=  5637144576 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636786003 LenY=  5636610001
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -464.414380007885    
 DIIS: error= 2.99D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -464.414380007885     IErMin= 1 ErrMin= 2.99D-03
 ErrMax= 2.99D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-02 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.70D-01 WtEn= 2.99D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.345 Goal=   None    Shift=    0.000
 GapD=    0.345 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.41D-02 MaxDP=3.25D+00              OVMax= 2.16D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.01D-02    CP:  1.45D+00
 E= -464.426360542370     Delta-E=       -0.011980534485 Rises=F Damp=F
 DIIS: error= 1.02D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -464.426360542370     IErMin= 2 ErrMin= 1.02D-03
 ErrMax= 1.02D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-03 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.02D-02
 Coeff-Com:  0.100D+00 0.900D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.995D-01 0.901D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=3.33D-03 MaxDP=4.94D-01 DE=-1.20D-02 OVMax= 1.52D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.13D-03    CP:  1.52D+00  1.13D+00
 E= -464.426242602993     Delta-E=        0.000117939377 Rises=F Damp=F
 DIIS: error= 1.30D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -464.426360542370     IErMin= 2 ErrMin= 1.02D-03
 ErrMax= 1.30D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-03 BMatP= 1.37D-03
 IDIUse=3 WtCom= 2.17D-01 WtEn= 7.83D-01
 Coeff-Com: -0.354D-01 0.552D+00 0.483D+00
 Coeff-En:   0.000D+00 0.524D+00 0.476D+00
 Coeff:     -0.769D-02 0.530D+00 0.478D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=6.84D-04 MaxDP=8.75D-02 DE= 1.18D-04 OVMax= 9.48D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.58D-04    CP:  1.53D+00  1.15D+00  1.02D+00
 E= -464.427582329846     Delta-E=       -0.001339726853 Rises=F Damp=F
 DIIS: error= 1.43D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -464.427582329846     IErMin= 4 ErrMin= 1.43D-04
 ErrMax= 1.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-05 BMatP= 1.37D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.43D-03
 Coeff-Com: -0.914D-02 0.221D-01 0.111D+00 0.876D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.912D-02 0.221D-01 0.111D+00 0.876D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=3.21D-04 MaxDP=4.39D-02 DE=-1.34D-03 OVMax= 1.67D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.78D-05    CP:  1.54D+00  1.16D+00  1.12D+00  1.12D+00
 E= -464.427608662222     Delta-E=       -0.000026332376 Rises=F Damp=F
 DIIS: error= 6.17D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -464.427608662222     IErMin= 5 ErrMin= 6.17D-05
 ErrMax= 6.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.12D-06 BMatP= 2.79D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.518D-03-0.671D-01-0.168D-01 0.372D+00 0.711D+00
 Coeff:      0.518D-03-0.671D-01-0.168D-01 0.372D+00 0.711D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=5.73D-05 MaxDP=5.13D-03 DE=-2.63D-05 OVMax= 5.06D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.27D-05    CP:  1.54D+00  1.16D+00  1.15D+00  1.17D+00  9.89D-01
 E= -464.427613450822     Delta-E=       -0.000004788599 Rises=F Damp=F
 DIIS: error= 9.21D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -464.427613450822     IErMin= 6 ErrMin= 9.21D-06
 ErrMax= 9.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-07 BMatP= 4.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.824D-03-0.197D-01-0.111D-01 0.453D-01 0.178D+00 0.807D+00
 Coeff:      0.824D-03-0.197D-01-0.111D-01 0.453D-01 0.178D+00 0.807D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=1.35D-05 MaxDP=1.45D-03 DE=-4.79D-06 OVMax= 2.83D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.38D-06    CP:  1.54D+00  1.16D+00  1.15D+00  1.19D+00  1.05D+00
                    CP:  1.09D+00
 E= -464.427613677113     Delta-E=       -0.000000226292 Rises=F Damp=F
 DIIS: error= 4.26D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -464.427613677113     IErMin= 7 ErrMin= 4.26D-06
 ErrMax= 4.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.42D-08 BMatP= 1.38D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.219D-03 0.154D-02-0.149D-02-0.306D-01-0.283D-01 0.320D+00
 Coeff-Com:  0.739D+00
 Coeff:      0.219D-03 0.154D-02-0.149D-02-0.306D-01-0.283D-01 0.320D+00
 Coeff:      0.739D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=5.18D-06 MaxDP=4.28D-04 DE=-2.26D-07 OVMax= 8.76D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.27D-06    CP:  1.54D+00  1.16D+00  1.15D+00  1.19D+00  1.06D+00
                    CP:  1.14D+00  1.03D+00
 E= -464.427613727101     Delta-E=       -0.000000049987 Rises=F Damp=F
 DIIS: error= 1.74D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -464.427613727101     IErMin= 8 ErrMin= 1.74D-06
 ErrMax= 1.74D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.13D-09 BMatP= 3.42D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.584D-04 0.278D-02 0.119D-02-0.132D-01-0.302D-01-0.146D-01
 Coeff-Com:  0.150D+00 0.904D+00
 Coeff:     -0.584D-04 0.278D-02 0.119D-02-0.132D-01-0.302D-01-0.146D-01
 Coeff:      0.150D+00 0.904D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=1.93D-06 MaxDP=2.03D-04 DE=-5.00D-08 OVMax= 6.35D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.01D-06    CP:  1.54D+00  1.16D+00  1.15D+00  1.19D+00  1.06D+00
                    CP:  1.15D+00  1.08D+00  1.10D+00
 E= -464.427613733011     Delta-E=       -0.000000005911 Rises=F Damp=F
 DIIS: error= 6.25D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -464.427613733011     IErMin= 9 ErrMin= 6.25D-07
 ErrMax= 6.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.45D-10 BMatP= 2.13D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.538D-04 0.103D-02 0.749D-03-0.228D-02-0.100D-01-0.453D-01
 Coeff-Com: -0.406D-01 0.412D+00 0.684D+00
 Coeff:     -0.538D-04 0.103D-02 0.749D-03-0.228D-02-0.100D-01-0.453D-01
 Coeff:     -0.406D-01 0.412D+00 0.684D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=5.69D-07 MaxDP=3.81D-05 DE=-5.91D-09 OVMax= 1.48D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.64D-07    CP:  1.54D+00  1.16D+00  1.15D+00  1.19D+00  1.06D+00
                    CP:  1.15D+00  1.09D+00  1.19D+00  1.04D+00
 E= -464.427613734104     Delta-E=       -0.000000001092 Rises=F Damp=F
 DIIS: error= 2.04D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -464.427613734104     IErMin=10 ErrMin= 2.04D-07
 ErrMax= 2.04D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.42D-11 BMatP= 7.45D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.372D-06-0.276D-03-0.348D-04 0.172D-02 0.351D-02-0.226D-02
 Coeff-Com: -0.371D-01-0.586D-01 0.571D-01 0.104D+01
 Coeff:      0.372D-06-0.276D-03-0.348D-04 0.172D-02 0.351D-02-0.226D-02
 Coeff:     -0.371D-01-0.586D-01 0.571D-01 0.104D+01
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=4.42D-07 MaxDP=5.02D-05 DE=-1.09D-09 OVMax= 9.10D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.51D-07    CP:  1.54D+00  1.16D+00  1.15D+00  1.19D+00  1.06D+00
                    CP:  1.15D+00  1.08D+00  1.20D+00  1.09D+00  1.19D+00
 E= -464.427613734161     Delta-E=       -0.000000000057 Rises=F Damp=F
 DIIS: error= 4.81D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -464.427613734161     IErMin=11 ErrMin= 4.81D-08
 ErrMax= 4.81D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.19D-12 BMatP= 3.42D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.427D-05-0.141D-03-0.600D-04 0.556D-03 0.153D-02 0.310D-02
 Coeff-Com: -0.770D-02-0.385D-01-0.490D-01 0.241D+00 0.849D+00
 Coeff:      0.427D-05-0.141D-03-0.600D-04 0.556D-03 0.153D-02 0.310D-02
 Coeff:     -0.770D-02-0.385D-01-0.490D-01 0.241D+00 0.849D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=7.78D-08 MaxDP=8.03D-06 DE=-5.71D-11 OVMax= 1.49D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.21D-08    CP:  1.54D+00  1.16D+00  1.15D+00  1.19D+00  1.06D+00
                    CP:  1.15D+00  1.08D+00  1.20D+00  1.10D+00  1.25D+00
                    CP:  1.14D+00
 E= -464.427613734225     Delta-E=       -0.000000000065 Rises=F Damp=F
 DIIS: error= 1.57D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -464.427613734225     IErMin=12 ErrMin= 1.57D-08
 ErrMax= 1.57D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.54D-13 BMatP= 4.19D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.660D-06 0.331D-05-0.622D-05-0.862D-04-0.105D-03 0.100D-02
 Coeff-Com:  0.213D-02 0.111D-02-0.191D-01-0.667D-01 0.177D+00 0.905D+00
 Coeff:      0.660D-06 0.331D-05-0.622D-05-0.862D-04-0.105D-03 0.100D-02
 Coeff:      0.213D-02 0.111D-02-0.191D-01-0.667D-01 0.177D+00 0.905D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=2.42D-08 MaxDP=1.49D-06 DE=-6.46D-11 OVMax= 7.47D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.27D-08    CP:  1.54D+00  1.16D+00  1.15D+00  1.19D+00  1.06D+00
                    CP:  1.15D+00  1.08D+00  1.20D+00  1.09D+00  1.27D+00
                    CP:  1.22D+00  1.16D+00
 E= -464.427613734189     Delta-E=        0.000000000036 Rises=F Damp=F
 DIIS: error= 7.66D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -464.427613734225     IErMin=13 ErrMin= 7.66D-09
 ErrMax= 7.66D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.80D-14 BMatP= 4.54D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.307D-06 0.181D-04 0.582D-05-0.909D-04-0.216D-03-0.892D-04
 Coeff-Com:  0.143D-02 0.524D-02-0.962D-04-0.478D-01-0.581D-01 0.256D+00
 Coeff-Com:  0.844D+00
 Coeff:     -0.307D-06 0.181D-04 0.582D-05-0.909D-04-0.216D-03-0.892D-04
 Coeff:      0.143D-02 0.524D-02-0.962D-04-0.478D-01-0.581D-01 0.256D+00
 Coeff:      0.844D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=9.69D-09 MaxDP=1.08D-06 DE= 3.64D-11 OVMax= 3.93D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.16D-09    CP:  1.54D+00  1.16D+00  1.15D+00  1.19D+00  1.06D+00
                    CP:  1.15D+00  1.08D+00  1.20D+00  1.09D+00  1.27D+00
                    CP:  1.24D+00  1.23D+00  1.08D+00
 E= -464.427613734199     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 3.87D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -464.427613734225     IErMin=14 ErrMin= 3.87D-09
 ErrMax= 3.87D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.36D-15 BMatP= 6.80D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.991D-07 0.104D-05 0.133D-05 0.248D-05-0.408D-05-0.136D-03
 Coeff-Com: -0.164D-03 0.249D-03 0.242D-02 0.533D-02-0.312D-01-0.102D+00
 Coeff-Com:  0.907D-01 0.104D+01
 Coeff:     -0.991D-07 0.104D-05 0.133D-05 0.248D-05-0.408D-05-0.136D-03
 Coeff:     -0.164D-03 0.249D-03 0.242D-02 0.533D-02-0.312D-01-0.102D+00
 Coeff:      0.907D-01 0.104D+01
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=2.82D-09 MaxDP=2.04D-07 DE=-1.02D-11 OVMax= 2.50D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -464.427613734     A.U. after   14 cycles
            NFock= 14  Conv=0.28D-08     -V/T= 2.0050
 KE= 4.621043501603D+02 PE=-2.303939097810D+03 EE= 7.655813275292D+02
 Leave Link  502 at Mon Aug 16 21:29:29 2021, MaxMem=  5637144576 cpu:            2455.0 elap:             307.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.84771879D+02

 Leave Link  801 at Mon Aug 16 21:29:29 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 5.02D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.66D-01 6.65D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 2.75D-02 7.57D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 3.14D-03 1.52D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 2.90D-04 3.21D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 1.77D-05 8.33D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 7.49D-07 1.51D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 2.44D-08 2.91D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 8.23D-10 4.95D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 1.75D-11 6.96D-07.
      9 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 3.85D-13 9.21D-08.
      2 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 1.29D-14 1.07D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.167536D+03
      2 -0.588681D+01  0.121636D+03
      3  0.678872D+01 -0.321614D+01  0.103402D+03
 Isotropic polarizability for W=    0.085645      130.86 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.593775D+02 -0.170119D+02  0.348770D+02
      2  -0.136836D+02  0.190628D+02 -0.181252D+02
      3  -0.456939D+02 -0.205098D+01 -0.167517D+02
      4   0.253638D+01 -0.334812D+02 -0.337900D+02
      5   0.309477D+02 -0.321034D+02 -0.881476D+02
      6  -0.102075D+02 -0.435088D+01  0.278349D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.222950D+01 -0.149905D+01 -0.115474D+02
      2   0.413726D+02 -0.145356D+02 -0.358906D+02
      3  -0.113913D+01  0.187325D+02  0.125793D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.168657D+01  0.137744D+02 -0.298859D+02
      2   0.392932D+01 -0.235825D+02 -0.424536D+02
      3   0.195482D+02  0.197976D+02  0.218959D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.556516D+00 -0.775542D+01  0.187944D+01
      2  -0.775542D+01  0.150878D+01  0.145752D+01
      3   0.187944D+01  0.145752D+01 -0.679084D+00
 OR G Eigenvalues:    -8.1067     0.0776     8.3023  Iso=    -0.0911
 Eigenvectors:
   (1)   0.718327   0.625526  -0.304507
   (2)   0.218282   0.212949   0.952369
   (3)  -0.660575   0.750580  -0.016426
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0911 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -28.37 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 1.58D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.12D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.89D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 2.40D-02 5.31D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 2.96D-03 1.22D-02.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 4.78D-05 1.32D-03.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 1.08D-06 1.10D-04.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 1.69D-08 1.37D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 2.10D-10 1.52D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 2.25D-12 1.45D-07.
     16 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 2.21D-14 1.27D-08.
      3 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 2.28D-15 5.82D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   259 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 7.65D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 7.65D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.31D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.167536D+03 -0.588681D+01  0.678872D+01
      2  -0.588681D+01  0.121636D+03 -0.321614D+01
      3   0.678872D+01 -0.321614D+01  0.103402D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.222950D+01 -0.149905D+01 -0.115474D+02
      2   0.413726D+02 -0.145356D+02 -0.358906D+02
      3  -0.113913D+01  0.187325D+02  0.125793D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.593775D+02 -0.170119D+02  0.348770D+02
      2  -0.136836D+02  0.190628D+02 -0.181252D+02
      3  -0.456939D+02 -0.205098D+01 -0.167517D+02
      4   0.253638D+01 -0.334812D+02 -0.337900D+02
      5   0.309477D+02 -0.321034D+02 -0.881476D+02
      6  -0.102075D+02 -0.435088D+01  0.278349D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.307140D+01 -0.181281D+01 -0.376392D+01 -0.126241D+01 -0.367315D+01
      2  -0.181281D+01 -0.367681D+01  0.206080D+01 -0.367315D+01 -0.181959D+01
      3  -0.376392D+01  0.206080D+01  0.320056D+01  0.211659D+01 -0.185282D+01
                 6             7             8             9            10 
      1   0.211659D+01 -0.344887D+01  0.254687D+01  0.311503D+01 -0.199252D+02
      2  -0.185282D+01  0.254687D+01 -0.138243D+01  0.720977D+00  0.401269D+01
      3   0.137841D+01  0.311503D+01  0.720977D+00  0.544252D+00  0.270152D+01
                11            12            13            14            15 
      1   0.401269D+01  0.270152D+01  0.109764D+02  0.147255D+01 -0.228999D+01
      2   0.233095D+01 -0.194617D+01  0.147255D+01  0.428221D+01  0.131136D+01
      3  -0.194617D+01 -0.320180D+01 -0.228999D+01  0.131136D+01 -0.821237D+00
                16            17            18            19            20 
      1   0.118694D+02 -0.343579D+01 -0.499603D+01  0.336339D+02 -0.447475D+01
      2  -0.343579D+01  0.231024D+01 -0.270094D+00 -0.447475D+01  0.257346D+01
      3  -0.499603D+01 -0.270094D+00 -0.261761D+01  0.104197D+01  0.820504D+00
                21            22            23            24            25 
      1   0.104197D+01 -0.928633D+01  0.291681D+01  0.175903D+01 -0.315304D+01
      2   0.820504D+00  0.291681D+01  0.160850D+01 -0.161276D+01  0.206292D+01
      3   0.266132D+01  0.175903D+01 -0.161276D+01 -0.204149D+01  0.605433D+01
                26            27            28            29            30 
      1   0.206292D+01  0.605433D+01 -0.506729D+02  0.527104D+01 -0.466823D+01
      2  -0.234956D+01 -0.171317D+01  0.527104D+01 -0.230250D+01 -0.165271D+00
      3  -0.171317D+01  0.513992D+01 -0.466823D+01 -0.165271D+00 -0.242421D+01
                31            32            33            34            35 
      1   0.141318D+02 -0.450736D+01  0.925053D+00 -0.134664D+02  0.181715D+00
      2  -0.450736D+01 -0.184388D+01  0.113872D+01  0.181715D+00  0.106766D+01
      3   0.925053D+00  0.113872D+01  0.150793D+01 -0.664323D+01  0.111491D+01
                36            37            38            39            40 
      1  -0.664323D+01  0.498374D+02 -0.705808D+01  0.657104D+01 -0.108320D+02
      2   0.111491D+01 -0.705808D+01  0.105408D+01 -0.376011D+00  0.369034D+01
      3  -0.468219D+01  0.657104D+01 -0.376011D+00  0.245828D+01 -0.516665D+00
                41            42            43            44            45 
      1   0.369034D+01 -0.516665D+00  0.142338D+02 -0.106594D+01  0.552408D+01
      2   0.281413D+01 -0.158290D+01 -0.106594D+01 -0.184677D+01 -0.131959D+01
      3  -0.158290D+01 -0.174287D+01  0.552408D+01 -0.131959D+01  0.255779D+01
                46            47            48            49            50 
      1  -0.358668D+02  0.709045D+01 -0.698254D+01  0.744784D+01 -0.352537D+01
      2   0.709045D+01 -0.189997D+01  0.192293D+01 -0.352537D+01 -0.192254D+01
      3  -0.698254D+01  0.192293D+01 -0.800594D+00  0.257970D+01  0.275489D-01
                51            52            53            54            55 
      1   0.257970D+01 -0.960510D+01  0.265206D+01 -0.182179D+01  0.293311D+02
      2   0.275489D-01  0.265206D+01  0.237238D+00  0.876904D+00 -0.645096D+01
      3   0.910147D+00 -0.182179D+01  0.876904D+00 -0.731106D+00  0.512857D+01
                56            57            58            59            60 
      1  -0.645096D+01  0.512857D+01 -0.202730D+02  0.683427D+01 -0.370375D+01
      2   0.314739D+01 -0.129603D+01  0.683427D+01 -0.533219D+01  0.175723D+01
      3  -0.129603D+01  0.190942D+01 -0.370375D+01  0.175723D+01 -0.176882D+01
                61            62            63            64            65 
      1   0.103273D+02 -0.178281D+01  0.578572D+01  0.574174D+01 -0.264202D+01
      2  -0.178281D+01  0.979611D+00 -0.264477D+01 -0.264202D+01 -0.292073D+01
      3   0.578572D+01 -0.264477D+01  0.354381D+01 -0.206286D+01  0.254524D+01
                66            67            68            69            70 
      1  -0.206286D+01 -0.236228D+01 -0.231561D+01  0.273648D+01 -0.375400D+01
      2   0.254524D+01 -0.231561D+01 -0.336641D+01 -0.423593D+00  0.276687D+01
      3   0.283847D+01  0.273648D+01 -0.423593D+00  0.153453D+01  0.375659D+01
                71            72            73            74            75 
      1   0.276687D+01  0.375659D+01  0.298143D+01  0.190721D+01  0.139576D+01
      2  -0.849498D+00  0.656378D+00  0.190721D+01 -0.216164D+01 -0.797484D+00
      3   0.656378D+00  0.436814D+01  0.139576D+01 -0.797484D+00  0.291789D+01
                76            77            78            79            80 
      1   0.315517D+01 -0.263557D+01 -0.172379D+01 -0.519670D+00 -0.120792D+01
      2  -0.263557D+01 -0.518392D+01 -0.361634D+00 -0.120792D+01 -0.918588D+00
      3  -0.172379D+01 -0.361634D+00  0.137418D+01  0.480694D+01  0.198090D+01
                81            82            83            84            85 
      1   0.480694D+01  0.272430D+01 -0.220449D+01 -0.198396D+01 -0.281843D+01
      2   0.198090D+01 -0.220449D+01 -0.162999D+01  0.168285D+01 -0.211187D+01
      3  -0.122031D+01 -0.198396D+01  0.168285D+01 -0.805627D+00  0.133998D+01
                86            87            88            89            90 
      1  -0.211187D+01  0.133998D+01 -0.189096D+01  0.184561D+01 -0.117088D+01
      2   0.129570D+01  0.268111D+01  0.184561D+01  0.379449D+01  0.255494D+01
      3   0.268111D+01  0.213382D+01 -0.117088D+01  0.255494D+01 -0.438045D+00
                91            92            93            94            95 
      1  -0.835255D+01 -0.198790D+01 -0.203804D+01  0.680687D+00  0.335249D+01
      2  -0.198790D+01  0.327103D+01 -0.524693D-01  0.335249D+01  0.950163D+00
      3  -0.203804D+01 -0.524693D-01  0.170370D+01  0.490895D-01 -0.115111D+01
                96            97            98            99           100 
      1   0.490895D-01 -0.316528D+01 -0.161380D+00  0.555270D+00 -0.649910D+01
      2  -0.115111D+01 -0.161380D+00 -0.109736D+01 -0.251331D+01 -0.157067D+01
      3  -0.184234D+01  0.555270D+00 -0.251331D+01  0.368651D+01 -0.261251D+01
               101           102           103           104           105 
      1  -0.157067D+01 -0.261251D+01 -0.457915D+00 -0.884643D+00 -0.126402D+00
      2  -0.134519D+01 -0.456091D+00 -0.884643D+00 -0.229919D+00 -0.544435D+00
      3  -0.456091D+00 -0.223980D+01 -0.126402D+00 -0.544435D+00 -0.380259D+00
               106           107           108           109           110 
      1  -0.479225D+01 -0.743374D+00 -0.302019D+01 -0.307681D+01 -0.154071D+01
      2  -0.743374D+00 -0.145020D+01 -0.101730D+01 -0.154071D+01 -0.834162D+00
      3  -0.302019D+01 -0.101730D+01 -0.274223D+01  0.178863D+01  0.795982D+00
               111           112           113           114           115 
      1   0.178863D+01 -0.977239D+00 -0.126886D+01  0.976306D+00  0.443895D+01
      2   0.795982D+00 -0.126886D+01 -0.136555D+01  0.127837D+01  0.184480D+01
      3  -0.198330D+01  0.976306D+00  0.127837D+01 -0.129029D+01 -0.388990D+01
               116           117           118           119           120 
      1   0.184480D+01 -0.388990D+01 -0.479391D+01  0.101221D+01 -0.175550D+01
      2   0.237756D+01 -0.199006D+01  0.101221D+01 -0.580670D+00  0.224421D-01
      3  -0.199006D+01  0.509229D+01 -0.175550D+01  0.224421D-01 -0.173405D+01
               121           122           123           124           125 
      1   0.443313D+01 -0.117229D+01  0.179781D+00 -0.363682D+01 -0.538540D-01
      2  -0.117229D+01  0.236028D+00 -0.982765D+00 -0.538540D-01 -0.128041D+01
      3   0.179781D+00 -0.982765D+00  0.108170D+01 -0.325414D+01  0.936961D+00
               126           127           128           129           130 
      1  -0.325414D+01  0.208048D+01 -0.222308D+00  0.934762D+00 -0.465377D+00
      2   0.936961D+00 -0.222308D+00  0.160219D+01 -0.752126D+00  0.835224D+00
      3  -0.837930D+01  0.934762D+00 -0.752126D+00  0.126728D+01 -0.497431D+00
               131           132           133           134           135 
      1   0.835224D+00 -0.497431D+00  0.185469D+01 -0.621768D+00  0.830863D+00
      2  -0.232510D+01  0.819552D+00 -0.621768D+00  0.198610D+01 -0.168970D+01
      3   0.819552D+00 -0.118315D+01  0.830863D+00 -0.168970D+01  0.287424D+01
               136           137           138           139           140 
      1  -0.727675D+00 -0.940470D+00 -0.432790D+00 -0.475446D+00 -0.387988D+00
      2  -0.940470D+00 -0.107757D+00 -0.213973D+00 -0.387988D+00 -0.701048D+01
      3  -0.432790D+00 -0.213973D+00  0.255574D-01 -0.220502D+00 -0.324800D+01
               141           142           143           144           145 
      1  -0.220502D+00 -0.108669D+01 -0.471607D+00  0.909275D-01  0.232739D+01
      2  -0.324800D+01 -0.471607D+00 -0.472347D+01 -0.337852D+01  0.183710D+01
      3  -0.239616D+01  0.909275D-01 -0.337852D+01 -0.320578D+01  0.585921D+00
               146           147           148           149           150 
      1   0.183710D+01  0.585921D+00  0.199730D+01  0.220885D+01  0.166458D+00
      2   0.278450D+01  0.532004D+00  0.220885D+01  0.538682D+01  0.140155D+01
      3   0.532004D+00  0.833928D+00  0.166458D+00  0.140155D+01  0.157119D+01
               151           152           153           154           155 
      1  -0.149162D+00 -0.489482D-01  0.223988D+00  0.192411D+01 -0.801497D+00
      2  -0.489482D-01  0.156505D+00  0.595996D+00 -0.801497D+00  0.154086D+01
      3   0.223988D+00  0.595996D+00  0.320695D+00  0.123427D+01 -0.667537D+00
               156           157           158           159           160 
      1   0.123427D+01 -0.140642D+01  0.130309D+01 -0.809379D+00  0.110115D+01
      2  -0.667537D+00  0.130309D+01 -0.235295D+01  0.120545D+01 -0.685777D+00
      3   0.152730D+01 -0.809379D+00  0.120545D+01 -0.265013D+01  0.715185D+00
               161           162           163           164           165 
      1  -0.685777D+00  0.715185D+00 -0.527944D+01  0.154194D+01  0.356658D+01
      2   0.119672D+01 -0.117189D+01  0.154194D+01 -0.126720D+01 -0.142414D+01
      3  -0.117189D+01  0.257465D+01  0.356658D+01 -0.142414D+01 -0.426295D+01
               166           167           168           169           170 
      1   0.752463D+00 -0.675230D+00 -0.812228D+00  0.245209D+01 -0.100713D+01
      2  -0.675230D+00  0.119694D+01  0.124685D+01 -0.100713D+01  0.112742D+01
      3  -0.812228D+00  0.124685D+01  0.862123D+00 -0.302358D+01  0.121927D+01
               171           172           173           174           175 
      1  -0.302358D+01 -0.240363D+01  0.299930D+00 -0.160054D+01 -0.884522D+00
      2   0.121927D+01  0.299930D+00 -0.162873D+00 -0.163792D+00  0.806094D-01
      3   0.445780D+01 -0.160054D+01 -0.163792D+00 -0.216300D+01 -0.769803D+00
               176           177           178           179           180 
      1   0.806094D-01 -0.769803D+00 -0.255263D+01  0.217811D+00 -0.313051D+01
      2  -0.425849D+00 -0.711034D+00  0.217811D+00 -0.151260D+01  0.191034D+00
      3  -0.711034D+00 -0.136871D+01 -0.313051D+01  0.191034D+00 -0.681737D+01
               181           182           183           184           185 
      1   0.134508D+01  0.126525D+01  0.410701D-01  0.175569D+01  0.894867D+00
      2   0.126525D+01  0.365719D+01 -0.825698D+00  0.894867D+00  0.757829D+01
      3   0.410701D-01 -0.825698D+00  0.695378D+00 -0.260496D+00 -0.112483D+01
               186           187           188           189           190 
      1  -0.260496D+00  0.292334D+00 -0.453999D+00 -0.114821D+00 -0.776663D+01
      2  -0.112483D+01 -0.453999D+00 -0.592647D+00  0.100583D+01  0.325556D+01
      3   0.115630D+01 -0.114821D+00  0.100583D+01 -0.844722D+00  0.188537D+01
               191           192           193           194           195 
      1   0.325556D+01  0.188537D+01  0.169326D+01 -0.167913D+01 -0.773892D+00
      2  -0.208423D+01 -0.835568D+00 -0.167913D+01  0.206125D+01  0.598048D+00
      3  -0.835568D+00 -0.192479D+01 -0.773892D+00  0.598048D+00  0.384950D+00
               196           197           198           199           200 
      1   0.457146D+01 -0.206261D+01 -0.216144D+01 -0.392039D+00  0.140130D+01
      2  -0.206261D+01  0.197803D+01  0.815558D+00  0.140130D+01  0.785659D+00
      3  -0.216144D+01  0.815558D+00  0.154736D+01 -0.653328D+00 -0.116663D+00
               201           202           203           204           205 
      1  -0.653328D+00  0.215382D+01  0.957825D+00  0.346603D-01 -0.190245D+01
      2  -0.116663D+00  0.957825D+00  0.572094D+01 -0.166687D+01  0.382749D+00
      3  -0.768103D-01  0.346603D-01 -0.166687D+01  0.132923D+01  0.806570D+00
               206           207           208           209           210 
      1   0.382749D+00  0.806570D+00  0.332605D+00 -0.105399D+01  0.395805D+00
      2  -0.139928D+01  0.879618D+00 -0.105399D+01 -0.684550D-01 -0.591886D-01
      3   0.879618D+00 -0.542324D+00  0.395805D+00 -0.591886D-01  0.145280D+00
               211           212           213           214           215 
      1  -0.233918D+01 -0.300462D+00 -0.850626D-01  0.726076D+00 -0.108945D+00
      2  -0.300462D+00 -0.662607D+01  0.106884D+01 -0.108945D+00  0.150004D+01
      3  -0.850626D-01  0.106884D+01 -0.114036D+01 -0.277977D+00 -0.791463D+00
               216           217           218           219           220 
      1  -0.277977D+00  0.115913D+01  0.266013D+00 -0.467002D+00  0.108724D+01
      2  -0.791463D+00  0.266013D+00 -0.958962D+00  0.189624D+00  0.982808D-01
      3   0.417769D+00 -0.467002D+00  0.189624D+00 -0.640226D+00  0.196359D-01
               221           222           223           224           225 
      1   0.982808D-01  0.196359D-01 -0.200522D+01 -0.942383D+00  0.616272D+00
      2   0.146857D+01 -0.104088D+01 -0.942383D+00 -0.247617D+01  0.237779D+01
      3  -0.104088D+01  0.137806D+01  0.616272D+00  0.237779D+01 -0.667938D+01
               226           227           228           229           230 
      1   0.989625D+01  0.289448D+01  0.714071D+00  0.126875D+01  0.104278D+01
      2   0.289448D+01  0.197971D+01  0.191048D+00  0.104278D+01  0.777130D+00
      3   0.714071D+00  0.191048D+00  0.128721D+01  0.139527D+00  0.294465D+00
               231           232           233           234           235 
      1   0.139527D+00  0.159849D+01  0.512825D+00  0.112075D+01 -0.629636D+00
      2   0.294465D+00  0.512825D+00  0.619405D+00  0.645162D+00  0.705473D+00
      3   0.332602D+00  0.112075D+01  0.645162D+00  0.205857D+00  0.103588D+01
               236           237           238           239           240 
      1   0.705473D+00  0.103588D+01  0.230705D+01 -0.550474D+00 -0.432905D+00
      2  -0.272589D+01 -0.615217D+00 -0.550474D+00  0.442777D+01  0.147453D+01
      3  -0.615217D+00 -0.121443D+01 -0.432905D+00  0.147453D+01  0.169068D+01
               241           242           243 
      1   0.166276D+01 -0.159998D+00 -0.498014D+00
      2  -0.159998D+00  0.254798D+01  0.192765D+01
      3  -0.498014D+00  0.192765D+01  0.156929D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.100891D+01 -0.108039D+02  0.188720D+01 -0.111085D+02 -0.269101D+01
      2   0.688311D+01  0.849511D+00  0.533815D+01 -0.468839D+00  0.116522D+02
      3  -0.201719D+01 -0.105289D+02 -0.934297D+00 -0.603416D+01 -0.736392D+01
                 6             7             8             9            10 
      1  -0.812303D+01  0.205197D+01 -0.209658D+01  0.307946D+01 -0.770312D+01
      2  -0.683175D+01 -0.131259D+01 -0.541990D+01 -0.650588D+01 -0.232162D+02
      3  -0.260206D+00  0.121433D+01 -0.158091D+00  0.389325D+01  0.393622D+01
                11            12            13            14            15 
      1   0.535825D+01  0.212924D+01  0.566481D+01 -0.873307D+00 -0.353511D+01
      2   0.729574D+01  0.112336D+02  0.143693D+02 -0.658774D+01  0.234395D+01
      3   0.527769D+01 -0.159794D+01  0.121494D+02  0.137071D+02  0.170685D+01
                16            17            18            19            20 
      1   0.391718D+01  0.530665D+01  0.833676D+00  0.997584D+01 -0.389855D+01
      2   0.133920D+02  0.947811D+00  0.327216D+01  0.249457D+02 -0.551097D+01
      3  -0.287054D+01  0.728795D+00 -0.350900D+01 -0.404197D+01 -0.448398D+01
                21            22            23            24            25 
      1  -0.250161D+01 -0.515999D+01 -0.471837D+01 -0.620340D+00 -0.693805D+01
      2   0.142029D+01 -0.115936D+02  0.476924D+01  0.387207D+01 -0.162157D+02
      3  -0.768622D+00  0.786248D+01 -0.154334D+01 -0.579235D+00 -0.236631D+01
                26            27            28            29            30 
      1   0.445035D+01  0.270842D+01 -0.104094D+02  0.148794D+01  0.142476D+01
      2   0.357367D+01  0.267451D+01 -0.291543D+02  0.267368D+01 -0.754127D+01
      3  -0.749175D+00 -0.161864D+01  0.477000D+01  0.249325D+01  0.218765D+01
                31            32            33            34            35 
      1   0.266571D+01  0.290975D+01 -0.190669D+01  0.567576D+01  0.271188D+01
      2   0.774604D+01 -0.298514D+01  0.155065D+01 -0.409533D+02  0.322485D+01
      3   0.178335D+02 -0.133675D+01  0.105960D+01  0.752720D+01  0.122146D+01
                36            37            38            39            40 
      1  -0.951564D+00  0.826137D+01 -0.136702D+01 -0.271250D+01 -0.716407D+01
      2  -0.995625D+01  0.363014D+02 -0.371423D+01  0.126065D+02 -0.647785D+01
      3   0.692488D+00  0.217412D+01 -0.631475D+01 -0.179125D+01  0.890928D+01
                41            42            43            44            45 
      1   0.362490D+00 -0.198167D+01 -0.551030D+01  0.106272D+01 -0.896404D+00
      2  -0.104646D+01  0.482858D+00  0.118402D+02 -0.702418D+00  0.688175D+01
      3  -0.120082D+02  0.472701D+01 -0.453085D+01  0.313486D+01  0.338128D+00
                46            47            48            49            50 
      1  -0.745669D+01 -0.153895D+01  0.833927D+01 -0.135106D+01  0.675702D+01
      2  -0.208752D+02  0.433091D+01 -0.170433D+02  0.234295D+01 -0.134236D+01
      3  -0.863821D+01  0.956806D+01  0.235518D+01  0.169316D+02  0.439151D+01
                51            52            53            54            55 
      1   0.404069D+01  0.381681D+01  0.149400D+02 -0.323541D+01  0.391843D+01
      2   0.275471D+01 -0.257290D+02 -0.105800D+01 -0.777721D+01  0.163621D+02
      3   0.217696D+01  0.148450D+01  0.509106D+01 -0.163478D+01  0.472258D+01
                56            57            58            59            60 
      1   0.161291D+01 -0.163696D+01 -0.155692D+01 -0.242277D+01 -0.460780D+01
      2  -0.408526D+01  0.173143D+02 -0.109078D+02  0.579231D+01 -0.111899D+02
      3  -0.179233D+02  0.477489D+00 -0.697019D+01  0.176878D+02 -0.333933D+01
                61            62            63            64            65 
      1   0.204887D+01 -0.640857D+00  0.198363D+01  0.579316D+01 -0.380703D+01
      2   0.142059D+02 -0.557659D+01  0.134550D+02  0.946933D+01 -0.101583D+02
      3  -0.204116D+00 -0.707355D+01  0.511484D+01  0.376298D+00 -0.181507D+02
                66            67            68            69            70 
      1  -0.762758D+01 -0.370512D+01  0.365704D+01 -0.386785D+01 -0.107690D+02
      2  -0.857895D+01 -0.927240D+01  0.114262D+00 -0.264943D+01 -0.162700D+02
      3   0.518587D+01 -0.784169D+01 -0.183036D+02  0.376775D+01  0.395881D+01
                71            72            73            74            75 
      1   0.208632D+01 -0.915780D+01  0.373170D+01 -0.326868D+01  0.375577D+01
      2   0.497877D+00 -0.115642D+02 -0.207200D+01  0.187453D+01 -0.908593D+01
      3   0.399787D+01  0.884412D+01  0.721903D+01 -0.153374D+02 -0.723042D+01
                76            77            78            79            80 
      1  -0.227402D+01 -0.280961D+01  0.164090D+00  0.695103D+01  0.552070D+01
      2   0.518839D+01  0.191381D+01 -0.531743D+01 -0.221718D+02 -0.785132D+01
      3  -0.831496D+01 -0.136255D+02  0.973840D-01 -0.772957D+01  0.824281D+00
                81            82            83            84            85 
      1  -0.151857D+01 -0.361557D+01  0.622951D+01 -0.260577D+01  0.839328D+01
      2   0.510426D+01  0.369569D+01 -0.299970D+01  0.249100D+01 -0.515562D+01
      3   0.142140D+01 -0.100173D+02  0.583932D-01  0.791153D+01  0.777483D+01
                86            87            88            89            90 
      1   0.914136D+01  0.160754D+01 -0.169654D+01  0.905891D+01 -0.131040D+01
      2  -0.358467D+01 -0.118538D+01 -0.128454D+01 -0.406865D+00  0.275981D+00
      3   0.522377D+01 -0.127191D+01  0.104279D+02 -0.838043D+00  0.654296D+01
                91            92            93            94            95 
      1   0.313011D+01 -0.268746D+01 -0.559787D+01  0.965354D-01  0.247076D+01
      2  -0.937393D+01 -0.289419D+00  0.840975D+01  0.979424D+00 -0.297980D+01
      3  -0.109268D+01 -0.193270D+02 -0.349771D+01 -0.855134D+01  0.156291D+01
                96            97            98            99           100 
      1  -0.731666D+00  0.310133D+01  0.109046D+02 -0.680709D+01 -0.330278D+01
      2  -0.450131D+01 -0.212205D+01 -0.989053D+01  0.132884D+02  0.785671D+01
      3   0.445710D+01 -0.295319D+01  0.582488D+01  0.121981D+02  0.385812D+01
               101           102           103           104           105 
      1   0.469451D+00 -0.336076D+01 -0.162864D+00 -0.599944D+00 -0.137705D+01
      2   0.105623D+01  0.944512D+01  0.682086D+00  0.147987D+01  0.143086D+01
      3  -0.424358D+01  0.202612D+01  0.212271D-01  0.895022D+00 -0.150600D+01
               106           107           108           109           110 
      1  -0.360746D+01  0.590983D+00 -0.385411D+01  0.201692D+01  0.650045D-01
      2   0.707202D+01  0.271557D+01  0.935208D+01 -0.345112D+01 -0.234768D+01
      3   0.374461D+01 -0.524278D+01  0.671080D+00  0.312548D+00 -0.241300D+01
               111           112           113           114           115 
      1  -0.286197D+01  0.173901D+01  0.939206D+00 -0.252840D+01 -0.425738D+01
      2   0.759587D+01 -0.192980D+01 -0.420675D+01  0.445986D+01  0.933782D+01
      3   0.390197D+00 -0.379602D-01 -0.284865D+01  0.247903D+01  0.280595D+00
               116           117           118           119           120 
      1   0.110054D+01  0.718185D+01 -0.153279D+01  0.154307D+01 -0.344417D+00
      2   0.587202D+01 -0.168099D+02 -0.329586D+01  0.127303D+01  0.130974D+01
      3   0.697534D+01 -0.152752D+01  0.964923D+00 -0.187149D+01  0.630858D+00
               121           122           123           124           125 
      1   0.250423D+01 -0.839973D-01  0.462280D+00  0.179921D+01  0.412746D+01
      2   0.511236D+01 -0.768822D+00 -0.687986D+00 -0.395806D+01 -0.807301D+00
      3   0.133402D+01 -0.161407D+00 -0.606294D+00  0.974335D+00 -0.169843D+01
               126           127           128           129           130 
      1  -0.261810D+01  0.263184D+01 -0.184194D+01  0.397551D+01 -0.164424D+01
      2   0.454931D+01 -0.236377D+01  0.814774D+00 -0.378224D+00  0.954761D+00
      3   0.111476D+01 -0.806440D+01  0.147996D+01 -0.429302D+01  0.368561D+01
               131           132           133           134           135 
      1   0.187930D+01 -0.394762D+01  0.260098D+01 -0.224508D+01  0.853060D+01
      2  -0.106235D+01  0.964753D+00 -0.320685D+01  0.194329D+01 -0.271117D+01
      3  -0.533661D+01  0.274224D+01 -0.756132D+01  0.431090D+01 -0.585311D+01
               136           137           138           139           140 
      1  -0.244080D+00 -0.648090D+00  0.295800D+00  0.220721D+00 -0.345937D+01
      2  -0.389547D-01 -0.201074D-01  0.525022D+00 -0.857196D+00  0.306587D+01
      3  -0.106332D+01  0.626518D+00  0.272037D+00  0.450352D+01 -0.100246D+02
               141           142           143           144           145 
      1  -0.657482D+01  0.591971D+00 -0.371691D+01 -0.687169D+01  0.377929D+01
      2   0.245677D+01 -0.235532D+01  0.335118D+01  0.354968D+01 -0.747532D+01
      3  -0.435335D+01  0.259933D+01 -0.575489D+01 -0.548274D+01  0.816488D+01
               146           147           148           149           150 
      1   0.574244D+01 -0.134883D+01  0.490242D+01  0.887158D+01 -0.187243D+01
      2  -0.494190D+01 -0.130273D+01 -0.597366D+01 -0.789662D+01 -0.179833D+01
      3   0.542346D+01  0.122082D+01  0.889582D+01  0.102585D+02  0.259619D+01
               151           152           153           154           155 
      1  -0.824977D+00  0.981555D+00  0.125261D+01 -0.370204D+01  0.556337D+01
      2  -0.156491D+01 -0.843501D+00 -0.915546D+00 -0.847657D+01  0.359155D+01
      3  -0.101139D+01 -0.876651D-01  0.138831D+01 -0.427930D+00  0.469557D+00
               156           157           158           159           160 
      1  -0.210724D+01  0.451685D+01 -0.824913D+01  0.226464D+01 -0.217554D+01
      2  -0.352902D+01  0.600080D+01 -0.562241D+01  0.533641D+01 -0.492528D+01
      3   0.365449D-01  0.263044D+01 -0.128154D+01  0.993027D+00 -0.500324D+00
               161           162           163           164           165 
      1   0.473189D+01 -0.385635D+01 -0.871500D+00 -0.210405D+01  0.219138D+01
      2   0.352830D+01 -0.516953D+01  0.364283D+01  0.319431D+00  0.402900D+01
      3   0.357305D+00 -0.107045D+01 -0.206183D+01 -0.284965D+01  0.286602D+00
               166           167           168           169           170 
      1  -0.124968D+00  0.111261D+01  0.317346D-01  0.970122D+00  0.278136D+01
      2  -0.116672D+01 -0.154135D+01 -0.273989D-01 -0.330588D+01  0.474851D-01
      3   0.639507D+00  0.196440D+01  0.130851D+01  0.176773D+01  0.181037D+01
               171           172           173           174           175 
      1  -0.265853D+01  0.258884D+01  0.111208D+01  0.422058D+01  0.677819D+00
      2  -0.322195D+01  0.278343D+01  0.574795D+00  0.672177D+01  0.876508D+00
      3  -0.727832D+00 -0.242232D+01 -0.105927D+01 -0.313576D+01  0.219958D+00
               176           177           178           179           180 
      1   0.243556D+01  0.179507D+01  0.492444D+01  0.421886D+01  0.117003D+02
      2   0.227865D+01  0.391169D+01  0.468412D+01  0.817703D-01  0.191044D+02
      3  -0.177212D+01 -0.304516D+01 -0.351365D+01 -0.569361D+01 -0.458344D+01
               181           182           183           184           185 
      1  -0.959517D+00 -0.582788D+00 -0.197599D+01 -0.381412D+00 -0.253841D+01
      2   0.137407D+01  0.297094D+01 -0.731504D+00  0.234129D+01  0.407624D+01
      3   0.926183D+01  0.127764D+02 -0.228972D+01  0.940460D+01  0.254892D+02
               186           187           188           189           190 
      1  -0.398692D+01  0.288702D+00  0.459012D-01  0.127865D+01 -0.543391D+01
      2  -0.283749D+01 -0.630230D+00 -0.290216D+01  0.209822D+01 -0.933239D+01
      3  -0.413953D+01 -0.151075D+01 -0.312169D+01  0.283633D+01 -0.383501D+01
               191           192           193           194           195 
      1   0.227325D+01  0.498514D+01  0.246753D+01 -0.198067D+01 -0.210556D+01
      2   0.442370D+01  0.985894D+01  0.376885D+01 -0.297097D+01 -0.226524D+01
      3  -0.363269D+01  0.705568D+00  0.124389D+00  0.418463D+01  0.372297D+00
               196           197           198           199           200 
      1   0.448122D+01 -0.727821D+00 -0.364896D+01  0.337760D+00 -0.117470D+01
      2   0.753548D+01 -0.308178D+01 -0.717087D+01 -0.390759D+00  0.125482D+01
      3   0.896064D+00  0.389389D+01 -0.116580D+01  0.130535D+00  0.403097D-03
               201           202           203           204           205 
      1  -0.561032D+00 -0.213323D+01 -0.526312D+01 -0.196413D+01 -0.578392D+01
      2  -0.461756D+00  0.244925D+01  0.875046D+00  0.790551D+00 -0.305322D+01
      3   0.644470D-01  0.364575D+01 -0.273518D+01  0.181626D+00 -0.158920D+01
               206           207           208           209           210 
      1   0.223225D+01 -0.878824D+00  0.103212D+01  0.783167D-02 -0.142871D+00
      2   0.129569D+00  0.496946D+00  0.223658D+01 -0.371644D+00  0.350673D+00
      3   0.658666D+00 -0.867090D+00  0.357227D+01  0.416669D+00 -0.979287D-01
               211           212           213           214           215 
      1  -0.449541D+00  0.770082D+00 -0.369747D+01 -0.228737D+01  0.379540D+00
      2  -0.223871D+00  0.309164D+01 -0.227251D+01 -0.385210D+01 -0.191742D+01
      3   0.608978D+01  0.135564D+02 -0.244511D+01 -0.227604D+01 -0.304925D+01
               216           217           218           219           220 
      1   0.488048D+00 -0.184468D+00 -0.475396D+00  0.155097D+01 -0.120987D+01
      2   0.622965D+00 -0.130928D+01  0.907045D+00 -0.198644D+01  0.166084D+01
      3   0.167808D+01 -0.866105D+00  0.302307D+01 -0.176861D+01  0.112383D+01
               221           222           223           224           225 
      1   0.998851D+00 -0.275929D+01 -0.159307D+01 -0.291655D+01  0.120915D+02
      2  -0.326018D+01  0.445056D+01 -0.396329D-05  0.831654D+01 -0.230089D+02
      3  -0.530371D+01  0.347504D+01 -0.462586D+00  0.697594D+01 -0.866996D+01
               226           227           228           229           230 
      1  -0.210655D+01 -0.583445D+00 -0.242550D+01 -0.651031D+00 -0.628733D+00
      2   0.526802D+01  0.153785D+01  0.694903D+01  0.113663D+01  0.136295D+01
      3   0.398819D+01 -0.565596D+01  0.606963D+00  0.794798D+00 -0.924651D+00
               231           232           233           234           235 
      1  -0.140793D+01 -0.108541D+01 -0.194027D-01 -0.411755D+00 -0.683888D+00
      2   0.154218D+01  0.300896D+01  0.195727D+01  0.122390D+01  0.340071D+01
      3  -0.883680D+00  0.413052D+00 -0.205880D+01 -0.120920D+01 -0.596032D+01
               236           237           238           239           240 
      1   0.331693D+01  0.305529D+01  0.183394D+01 -0.437959D+01 -0.447032D+01
      2  -0.291692D+01 -0.325958D+01 -0.158219D+01  0.538349D+01  0.521629D+01
      3   0.113600D+02  0.465562D+01  0.694087D+01 -0.172951D+02 -0.631870D+01
               241           242           243 
      1   0.366461D+00 -0.405117D+01 -0.406144D+01
      2  -0.193058D+01  0.721421D+01  0.546975D+01
      3   0.379140D+01 -0.102797D+02 -0.881426D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.624092D+01  0.662235D+01  0.830240D+01  0.375066D+01  0.185794D+02
      2   0.500831D+01 -0.187129D+02 -0.113618D+02 -0.151100D+02 -0.105374D+02
      3  -0.112492D+02  0.120906D+02  0.305937D+01  0.113594D+02 -0.804204D+01
      4   0.772213D+01  0.670252D+01 -0.124361D+02  0.827103D+01 -0.270504D+01
      5   0.209667D+02 -0.124080D+02 -0.238002D+02 -0.125642D+02 -0.242199D+01
      6  -0.824733D+01 -0.699258D+01  0.111999D+02 -0.729892D+01 -0.612861D+01
                 6             7             8             9            10 
      1  -0.879543D+01  0.434355D+01 -0.109272D+02 -0.168284D+02 -0.241499D+01
      2  -0.475584D+00 -0.866890D+01  0.141967D+01  0.856371D+01 -0.788637D+00
      3   0.927101D+01  0.432535D+01  0.950756D+01  0.826474D+01  0.320362D+01
      4   0.743775D+01 -0.145413D+02  0.765784D+01  0.401330D+01 -0.142199D+02
      5   0.146742D+01 -0.236670D+02  0.591771D+01  0.872986D+01 -0.107199D+02
      6  -0.349059D+01  0.112506D+02 -0.324004D+01  0.547351D+01  0.755545D+01
                11            12            13            14            15 
      1  -0.892713D+01 -0.146373D+01 -0.340215D+00 -0.244973D+02  0.817381D+01
      2   0.117725D+02  0.118956D+01  0.240099D+01  0.115295D+02 -0.162962D+01
      3  -0.284541D+01  0.274171D+00 -0.206077D+01  0.129678D+02 -0.654418D+01
      4  -0.113826D+02  0.109950D+02 -0.168854D+02 -0.171368D+02 -0.680586D+01
      5   0.102874D+02  0.144608D+02  0.125368D+02 -0.245174D+01  0.573553D+01
      6  -0.726070D+01 -0.198709D+01 -0.249757D+01  0.101596D+02 -0.902861D+00
                16            17            18            19            20 
      1  -0.176111D+01  0.128408D+02  0.143063D+02  0.368231D+02  0.718810D+01
      2  -0.522836D+01 -0.376390D+01 -0.108611D+02 -0.166366D+02 -0.900986D+01
      3   0.698947D+01 -0.907691D+01 -0.344520D+01 -0.201865D+02  0.182176D+01
      4   0.161616D+02 -0.130947D+02  0.118511D+01  0.943835D+01 -0.593142D+01
      5   0.220764D+02  0.104883D+01  0.875332D+01 -0.702797D+01 -0.190339D+01
      6  -0.313159D+01 -0.360408D+00 -0.755524D+01 -0.749372D+01 -0.870320D+00
                21            22            23            24            25 
      1   0.473176D+01  0.227791D+01  0.213146D+01 -0.285001D+01  0.189941D+02
      2   0.191544D+01 -0.360727D+01 -0.510541D+01  0.613784D+00  0.686417D+01
      3  -0.664720D+01  0.132936D+01  0.297395D+01  0.223623D+01 -0.258583D+02
      4  -0.413456D+01 -0.515974D+01 -0.146667D+01  0.394221D+01 -0.112640D+02
      5  -0.603995D+01 -0.510886D+01  0.774071D+00  0.423701D+01 -0.158845D+02
      6   0.190143D+00 -0.166666D+01 -0.375258D+01  0.264578D+01 -0.179403D+01
                26            27            28            29            30 
      1  -0.764174D+01  0.111585D+02 -0.111090D+03  0.100719D+02 -0.120076D+02
      2   0.395854D+01  0.127411D+02  0.459709D+02 -0.580813D+01  0.471318D+01
      3   0.368319D+01 -0.238997D+02  0.651191D+02 -0.426374D+01  0.729437D+01
      4   0.887192D+01  0.165019D+01  0.172001D+02 -0.943907D+01  0.986951D+00
      5   0.462757D+01 -0.149137D+02 -0.747284D+00 -0.107378D+01 -0.931048D+01
      6   0.364442D+01  0.117956D+01  0.791912D+01  0.248702D+01  0.168597D+01
                31            32            33            34            35 
      1   0.439080D+02 -0.664960D+01  0.151204D+01 -0.390081D+02 -0.139482D+01
      2  -0.210183D+02  0.253034D+01  0.563673D+00  0.115570D+02  0.306812D+01
      3  -0.228897D+02  0.411926D+01 -0.207571D+01  0.274511D+02 -0.167330D+01
      4  -0.145727D+02 -0.264227D+01  0.807736D+00  0.685619D+01 -0.341959D+01
      5   0.663537D+01  0.202456D+01  0.188147D+01 -0.647371D+01  0.294123D+00
      6   0.125571D+01  0.839119D+01 -0.102593D+01  0.510670D+00  0.343623D+01
                36            37            38            39            40 
      1  -0.285410D+02  0.158460D+03 -0.240726D+02  0.278490D+02 -0.209362D+02
      2  -0.531558D-01 -0.686673D+02  0.108470D+02 -0.988258D+01  0.664911D+01
      3   0.285941D+02 -0.897927D+02  0.132256D+02 -0.179664D+02  0.142871D+02
      4   0.429159D+01 -0.450194D+02  0.142805D+02 -0.504209D+01  0.164926D+02
      5  -0.122209D+02  0.206559D+02 -0.149225D+01  0.187445D+02  0.282884D+01
      6   0.357138D+01 -0.909180D+01 -0.136445D+01 -0.246876D+01 -0.110681D+01
                41            42            43            44            45 
      1   0.126493D+02 -0.757602D+01  0.384870D+02 -0.910002D+01  0.704065D+01
      2  -0.109447D+02  0.255134D+01 -0.173221D+02  0.743288D+01 -0.680656D+01
      3  -0.170465D+01  0.502468D+01 -0.211649D+02  0.166714D+01 -0.234082D+00
      4   0.127888D+02 -0.482630D+01 -0.605983D+01 -0.631129D+01 -0.596679D+01
      5  -0.650662D+01 -0.236203D+01  0.268012D+02 -0.621198D+01  0.569461D+01
      6   0.378621D+01  0.380396D+01 -0.840451D+01  0.636281D+01  0.723496D+00
                46            47            48            49            50 
      1  -0.141135D+03  0.355382D+02 -0.240138D+02  0.502685D+02 -0.220079D+02
      2   0.634416D+02 -0.160266D+02  0.131810D+02 -0.316062D+02  0.366981D+01
      3   0.776939D+02 -0.195116D+02  0.108327D+02 -0.186623D+02  0.183380D+02
      4   0.648214D+02 -0.337675D+02  0.153423D+02 -0.349548D+02 -0.119335D+02
      5  -0.375393D+02  0.114573D+02 -0.223043D+02  0.212750D+02 -0.117194D+01
      6   0.149647D+02 -0.597676D+01  0.180171D+01  0.746541D+00  0.435954D+01
                51            52            53            54            55 
      1   0.131574D+02 -0.479664D+02  0.119267D+02 -0.141982D+02  0.154580D+03
      2  -0.109040D+02  0.230365D+02 -0.276628D+01  0.283488D+01 -0.750916D+02
      3  -0.225331D+01  0.249298D+02 -0.916039D+01  0.113633D+02 -0.794880D+02
      4  -0.832009D+00  0.267262D+02 -0.322962D+01  0.761461D+01 -0.642759D+02
      5   0.311100D+01 -0.741976D+01  0.555708D+01 -0.112091D+02  0.328454D+02
      6  -0.655263D+01  0.583683D+00  0.226535D+01  0.447299D+01 -0.763013D+01
                56            57            58            59            60 
      1  -0.381670D+02  0.242715D+02 -0.904002D+02  0.285091D+02 -0.128472D+02
      2   0.138452D+02 -0.147547D+02  0.371489D+02 -0.179985D+01  0.742443D+01
      3   0.243218D+02 -0.951682D+01  0.532513D+02 -0.267092D+02  0.542275D+01
      4   0.419030D+02 -0.118910D+02  0.668679D+02 -0.477792D+02  0.141766D+02
      5  -0.995072D+01  0.280236D+02 -0.217994D+02  0.117310D+02 -0.158605D+02
      6   0.404939D+01 -0.566893D+01  0.833419D+01 -0.605354D+01  0.113179D+02
                61            62            63            64            65 
      1   0.438288D+02 -0.543159D+01  0.244905D+02 -0.238576D+02  0.275834D+02
      2  -0.255307D+02  0.395222D+01 -0.186587D+02  0.726535D+01 -0.246817D+02
      3  -0.182981D+02  0.147937D+01 -0.583179D+01  0.165923D+02 -0.290163D+01
      4  -0.178371D+02  0.106900D+02 -0.211352D+02  0.226714D+02  0.593455D+01
      5   0.464910D+02 -0.198070D+02  0.296325D+02  0.137730D+02 -0.146759D+02
      6  -0.902113D+01  0.111377D+02 -0.809063D+01 -0.977345D+01  0.138714D+02
                66            67            68            69            70 
      1   0.980835D+01  0.207577D+02  0.270591D+02 -0.170237D+02  0.162932D+02
      2   0.535671D+01 -0.166170D+02 -0.241644D+02  0.106836D+02  0.471462D+01
      3  -0.151651D+02 -0.414075D+01 -0.289471D+01  0.634004D+01 -0.210079D+02
      4  -0.190784D+02  0.728061D+01  0.254986D+01  0.927142D+01 -0.241023D+02
      5  -0.174172D+02 -0.161403D+02  0.736958D+01 -0.998507D+01 -0.234362D+02
      6   0.612877D+01  0.114681D+02  0.149370D+00  0.321480D+01  0.825735D+01
                71            72            73            74            75 
      1  -0.194758D+02 -0.219517D+02 -0.222953D+01 -0.127782D+02 -0.194715D+02
      2   0.102111D+02  0.228584D+02  0.986340D+00  0.984066D+01  0.117622D+02
      3   0.926478D+01 -0.906637D+00  0.124319D+01  0.293751D+01  0.770928D+01
      4   0.127163D+02  0.225310D+01 -0.123695D+02  0.465517D+01 -0.105875D+01
      5  -0.428685D+01 -0.278809D+02 -0.938556D+01  0.318649D+01 -0.212702D+02
      6   0.332721D+01  0.663696D+01 -0.324963D+01  0.648440D+01 -0.656382D+01
                76            77            78            79            80 
      1  -0.162289D+02  0.153877D+02  0.680750D+01 -0.205873D+02  0.195314D+01
      2   0.161824D+02 -0.125276D+01 -0.489785D+01  0.121303D+02 -0.148889D+01
      3   0.464856D-01 -0.141350D+02 -0.190965D+01  0.845698D+01 -0.464254D+00
      4   0.122624D+02  0.323420D+02  0.414728D+01  0.468767D+01  0.883609D+01
      5   0.100358D+02 -0.154154D+01 -0.110778D+02 -0.348145D+02 -0.147148D+02
      6   0.314797D+01 -0.585676D+00 -0.401392D+01 -0.125744D+02 -0.540279D+01
                81            82            83            84            85 
      1  -0.225612D+02 -0.169577D+02 -0.124018D+01  0.137652D+02  0.141762D+01
      2   0.152320D+02  0.151876D+02  0.656544D+01 -0.134155D+02  0.238108D+01
      3   0.732924D+01  0.177013D+01 -0.532526D+01 -0.349705D+00 -0.379871D+01
      4  -0.193559D+02  0.560533D+00  0.979104D+01  0.243634D+01  0.907018D+01
      5   0.973616D+01  0.619578D+01 -0.262193D+01  0.160619D+01 -0.567680D+01
      6   0.792380D+01  0.903141D+01 -0.635359D+01  0.292162D+01 -0.366510D+01
                86            87            88            89            90 
      1   0.104693D+02  0.457761D+01  0.160701D+02  0.102785D+02  0.141341D+02
      2  -0.591800D+01 -0.829275D+01 -0.152670D+02 -0.163943D+02 -0.160861D+02
      3  -0.455129D+01  0.371514D+01 -0.803161D+00  0.611581D+01  0.195203D+01
      4  -0.340873D+01 -0.118489D+02  0.116811D+01 -0.170021D+02 -0.259584D+01
      5  -0.602381D+01 -0.310508D+01  0.359299D+01 -0.487591D+01 -0.350499D+00
      6  -0.166381D+02 -0.133847D+02  0.347887D+01 -0.185398D+02 -0.270795D+01
                91            92            93            94            95 
      1  -0.565730D+02 -0.285653D+02 -0.141585D+02 -0.107919D+02  0.176123D+02
      2   0.242764D+02  0.224093D+02  0.108456D+02  0.127935D+02 -0.286838D+01
      3   0.322967D+02  0.615603D+01  0.331293D+01 -0.200153D+01 -0.147440D+02
      4  -0.249437D+02  0.156890D+02 -0.496227D+01  0.195444D+02  0.151552D+02
      5  -0.123630D+02 -0.221366D+01  0.125569D+02 -0.165392D+01 -0.767690D+01
      6  -0.605380D+01  0.199802D+01  0.740209D+01 -0.482733D+00 -0.857500D+01
                96            97            98            99           100 
      1   0.333862D+01 -0.214446D+02  0.613533D+00  0.195970D+02  0.502780D+02
      2  -0.727533D+01  0.116732D+02 -0.100802D+02 -0.856789D+01 -0.260475D+02
      3   0.393670D+01  0.977144D+01  0.946664D+01 -0.110291D+02 -0.242305D+02
      4  -0.618342D+01 -0.624636D+01 -0.510060D+01 -0.124743D+02  0.224187D+02
      5  -0.902371D+01  0.490010D+01 -0.148128D+02  0.242803D+02  0.220939D+02
      6  -0.292138D+01  0.269241D+01 -0.106739D+02  0.126570D+02  0.512365D+01
               101           102           103           104           105 
      1   0.894808D+01  0.182314D+02  0.287562D+01  0.422706D+01 -0.617967D+00
      2  -0.254998D+01 -0.102074D+02  0.318947D+00 -0.103345D+01  0.162359D+01
      3  -0.639809D+01 -0.802400D+01 -0.319456D+01 -0.319361D+01 -0.100562D+01
      4   0.133262D+02  0.723978D+01  0.102624D+02  0.398544D+01  0.503951D+01
      5   0.338399D+01  0.186456D+02  0.128895D+01  0.513441D+01  0.290597D+01
      6   0.187066D+01  0.522222D+01  0.224700D+01  0.225249D+01  0.378968D+01
               106           107           108           109           110 
      1   0.305965D+02  0.289226D+01  0.161693D+02  0.221428D+02  0.793915D+01
      2  -0.174889D+02  0.746924D+00 -0.124692D+02 -0.125862D+02 -0.354152D+01
      3  -0.131076D+02 -0.363919D+01 -0.370006D+01 -0.955660D+01 -0.439763D+01
      4   0.136039D+02  0.110158D+02  0.112803D+02  0.169458D+02  0.105905D+02
      5   0.249584D+02  0.709290D+01  0.204759D+02 -0.161638D+02 -0.679124D+01
      6   0.704797D+01  0.473700D+01  0.611206D+01 -0.700313D+01 -0.422333D+01
               111           112           113           114           115 
      1  -0.770859D+01  0.679529D+01 -0.927438D+00 -0.104440D+01 -0.169840D+02
      2   0.536489D+01 -0.220808D+01  0.387443D+01 -0.837042D+00  0.123173D+02
      3   0.234370D+01 -0.458721D+01 -0.294700D+01  0.188144D+01  0.466665D+01
      4  -0.858143D+01  0.129168D+02  0.102960D+02 -0.105089D+02 -0.191076D+02
      5   0.177104D+02 -0.745419D+01 -0.915001D+01  0.892704D+01  0.306224D+02
      6   0.613004D+01 -0.597790D+01 -0.675253D+01  0.825569D+01  0.128420D+02
               116           117           118           119           120 
      1  -0.233152D+01  0.845478D+01 -0.883597D+00  0.107155D+00 -0.134124D+01
      2  -0.502858D+00 -0.135398D+02 -0.545012D+01  0.970259D+00 -0.415298D+01
      3   0.283437D+01  0.508505D+01  0.633372D+01 -0.107741D+01  0.549422D+01
      4  -0.184780D+02  0.182585D+02 -0.396862D+00  0.404369D+01  0.432258D+00
      5   0.143017D+02 -0.351348D+02  0.809266D+01 -0.892702D+00  0.116068D+02
      6   0.113157D+02 -0.167261D+02  0.283087D+00  0.140471D+01  0.135524D+00
               121           122           123           124           125 
      1   0.580898D+01 -0.448004D+01  0.277126D+01 -0.818153D+01  0.465051D+00
      2  -0.151277D+01 -0.296791D+00  0.118917D+01 -0.562070D+01  0.327037D+01
      3  -0.429621D+01  0.477683D+01 -0.396043D+01  0.138022D+02 -0.373542D+01
      4   0.377257D+01  0.430894D+00  0.284861D+01  0.117337D+01  0.407346D+01
      5  -0.145835D+01  0.299145D+01 -0.205225D+01  0.164512D+02 -0.264543D+01
      6   0.158273D+01 -0.161157D+01  0.669813D+01  0.146677D+01  0.489983D+01
               126           127           128           129           130 
      1  -0.232179D+02 -0.309842D+01  0.758231D+01 -0.524901D+01  0.455044D+01
      2  -0.182627D+02  0.290211D+01 -0.980726D+01  0.476165D+01 -0.525029D+01
      3   0.414805D+02  0.196308D+00  0.222496D+01  0.487361D+00  0.699852D+00
      4  -0.530167D+00 -0.512923D+01  0.311329D+00 -0.224033D+01  0.222192D+01
      5   0.225315D+02 -0.359510D+00  0.544303D+00 -0.782922D+00  0.325048D+00
      6   0.589604D+00 -0.551671D+01  0.375863D+01 -0.562394D+01  0.255150D+01
               131           132           133           134           135 
      1  -0.128279D+02  0.477107D+01 -0.873480D+01  0.952935D+01 -0.131226D+02
      2   0.153256D+02 -0.483078D+01  0.600381D+01 -0.109021D+02  0.880702D+01
      3  -0.249768D+01  0.597123D-01  0.273099D+01  0.137276D+01  0.431556D+01
      4   0.330762D+00  0.794618D+00 -0.505938D+01 -0.895608D+00 -0.775428D+00
      5  -0.803473D+00  0.165710D+01 -0.282301D-01  0.243407D+01 -0.409130D+01
      6  -0.461963D+01  0.855639D+01 -0.439549D+01  0.111312D+02 -0.126553D+02
               136           137           138           139           140 
      1  -0.775793D+00  0.343057D+01  0.455673D+00  0.238478D+01 -0.299552D+02
      2   0.229616D+01 -0.182823D+01  0.492742D+00  0.313120D+00  0.402149D+02
      3  -0.152037D+01 -0.160235D+01 -0.948415D+00 -0.269790D+01 -0.102597D+02
      4   0.504937D+01  0.750929D+01  0.326316D+01  0.815940D+01  0.200192D+02
      5   0.103911D+01  0.304246D+01  0.356324D+01  0.252713D+01  0.853013D+01
      6   0.331491D+01  0.103312D+01 -0.166611D+00  0.162316D+01  0.256148D+02
               141           142           143           144           145 
      1  -0.143015D+02  0.263782D+00 -0.206673D+02 -0.175669D+02 -0.754093D+01
      2   0.156933D+02  0.199311D+01  0.221616D+02  0.122960D+02  0.663727D+01
      3  -0.139181D+01 -0.225690D+01 -0.149432D+01  0.527087D+01  0.903657D+00
      4   0.916470D+01  0.542314D+01  0.141030D+02  0.873892D+01  0.265008D+01
      5   0.596533D+01  0.340293D+01  0.919197D+01  0.822601D+01  0.366090D+01
      6   0.186172D+02  0.896014D+00  0.243806D+02  0.210287D+02  0.572546D+01
               146           147           148           149           150 
      1  -0.105677D+02 -0.645012D+01 -0.852189D+01 -0.211278D+02 -0.677745D+01
      2   0.117953D+02  0.165171D+01  0.100498D+02  0.243067D+02  0.170328D+01
      3  -0.122762D+01  0.479841D+01 -0.152787D+01 -0.317891D+01  0.507417D+01
      4  -0.184130D+00  0.115629D+01  0.262250D+01 -0.616295D+01 -0.224110D+01
      5   0.431371D+01  0.228283D+01  0.641881D+01  0.248069D+01 -0.243322D+01
      6   0.964217D+01  0.384079D+01  0.663544D+01  0.172907D+02  0.932966D+01
               151           152           153           154           155 
      1  -0.170134D+01 -0.853954D+00 -0.237488D+01 -0.614200D+01  0.252520D+01
      2  -0.165043D+00 -0.169270D+01  0.791469D+00 -0.159059D+01  0.300428D+01
      3   0.186639D+01  0.254665D+01  0.158341D+01  0.773260D+01 -0.552948D+01
      4   0.115249D+01  0.256095D+00 -0.510191D+00  0.255746D+01 -0.308952D+01
      5   0.294401D+01 -0.338155D+00 -0.494523D-01  0.204378D+01 -0.644994D+00
      6   0.159948D+01  0.511648D+01  0.192743D+01 -0.224298D+01  0.561430D+01
               156           157           158           159           160 
      1  -0.902254D+01  0.445175D+01 -0.890922D+01  0.101456D+02 -0.504019D+01
      2  -0.225404D+01  0.120019D+01  0.175193D+01  0.459051D+01 -0.131388D+01
      3   0.112766D+02 -0.565194D+01  0.715729D+01 -0.147361D+02  0.635407D+01
      4   0.307562D+01 -0.307469D+01  0.719350D+01 -0.413926D+01  0.311532D+01
      5   0.298345D+01 -0.220778D+01  0.391213D+00  0.396014D+01  0.532264D+01
      6  -0.275664D+01  0.403373D+01 -0.874144D+01  0.576959D+01 -0.316261D+01
               161           162           163           164           165 
      1   0.587422D+01 -0.994459D+01  0.164815D+02 -0.158254D+01 -0.313148D+01
      2   0.248058D+01 -0.662222D+01 -0.173482D+02  0.283614D+01  0.151191D+02
      3  -0.835480D+01  0.165668D+02  0.866704D+00 -0.125360D+01 -0.119877D+02
      4  -0.331876D+01  0.342893D+01 -0.131052D+02  0.102108D+02  0.975640D+01
      5  -0.291790D+00 -0.226755D+01 -0.323310D+02  0.102743D+02  0.307909D+02
      6   0.639139D+01 -0.438954D+01  0.830302D+01 -0.758883D+01 -0.979106D+01
               166           167           168           169           170 
      1  -0.116896D+01 -0.183052D+01 -0.142581D+01 -0.405062D+01 -0.111495D+01
      2   0.187660D+01  0.564870D+00 -0.644071D+00  0.123149D+02 -0.168951D+01
      3  -0.707635D+00  0.126565D+01  0.206988D+01 -0.826432D+01  0.280446D+01
      4   0.733623D+01 -0.589752D+01 -0.692497D+01  0.820070D+01 -0.653632D+01
      5   0.630290D+01 -0.707812D+01 -0.616278D+01  0.241961D+02 -0.829057D+01
      6  -0.478522D+01  0.609916D+01  0.792847D+01 -0.745163D+01  0.776434D+01
               171           172           173           174           175 
      1  -0.305292D+01  0.157471D+02 -0.229176D+01  0.907738D+01  0.478608D+01
      2  -0.161976D+02 -0.113573D+02  0.977547D+00 -0.102516D+02 -0.347315D+01
      3   0.192505D+02 -0.438972D+01  0.131422D+01  0.117425D+01 -0.131294D+01
      4  -0.831420D+01 -0.607491D+01  0.381743D+01 -0.138317D+01  0.938449D+00
      5  -0.285691D+02  0.139791D+02  0.885754D+00  0.189209D+02  0.613447D+01
      6   0.106083D+02 -0.297373D+01  0.308358D+00 -0.572412D+01 -0.305951D+00
               176           177           178           179           180 
      1  -0.183863D+01  0.434039D+01  0.140012D+02  0.268562D+01  0.800395D+01
      2   0.954699D-01 -0.690785D+01 -0.143369D+02 -0.507850D+01 -0.234427D+02
      3   0.174316D+01  0.256746D+01  0.335697D+00  0.239288D+01  0.154388D+02
      4   0.369953D+01  0.406538D+01 -0.531264D+01  0.922184D+01 -0.495342D+01
      5   0.437759D+01  0.865943D+01  0.260074D+02 -0.118964D+01  0.451369D+02
      6   0.333343D+00  0.176428D+01 -0.789830D+01  0.563561D+01 -0.161985D+02
               181           182           183           184           185 
      1  -0.835773D+01 -0.199375D+02  0.233578D+01 -0.149587D+02 -0.329435D+02
      2   0.851111D+01  0.223057D+02 -0.249657D+01  0.111284D+02  0.451523D+02
      3  -0.153384D+00 -0.236818D+01  0.160795D+00  0.383024D+01 -0.122088D+02
      4   0.103871D+01 -0.714562D+01  0.326365D+01  0.549099D+01 -0.266127D+02
      5  -0.293772D+01  0.167618D+01 -0.117861D+01 -0.106208D+01  0.231417D+01
      6  -0.106332D+01 -0.627144D+01  0.471147D+01 -0.252430D+01 -0.117406D+02
               186           187           188           189           190 
      1   0.646891D+01 -0.862803D-02  0.622869D+01 -0.340623D+01  0.595016D+02
      2  -0.567568D+01 -0.142424D+01 -0.440555D+01  0.241809D+01 -0.234000D+02
      3  -0.793224D+00  0.143287D+01 -0.182314D+01  0.988140D+00 -0.361016D+02
      4   0.342172D+01  0.205596D+01  0.123034D+01 -0.321165D+01 -0.393589D+02
      5  -0.458359D+01  0.306285D+01 -0.336133D+01  0.425427D+01 -0.134278D+02
      6   0.874479D+01  0.800773D+00  0.782823D+01 -0.409309D+01  0.673764D+01
               191           192           193           194           195 
      1  -0.186188D+02 -0.136932D+02 -0.118022D+02  0.477128D+01  0.380251D+01
      2   0.313990D+01  0.430854D+01  0.480673D+00  0.511010D+01 -0.119039D-01
      3   0.154789D+02  0.938467D+01  0.113215D+02 -0.988137D+01 -0.379061D+01
      4   0.237566D+02  0.974850D+01  0.191159D+02 -0.162823D+02 -0.644518D+01
      5   0.539704D+01  0.153137D+02  0.425079D+01 -0.464868D+01 -0.257233D+01
      6  -0.366503D+01 -0.726114D+01 -0.352741D+01  0.183720D+01  0.348275D+01
               196           197           198           199           200 
      1  -0.270426D+02  0.844844D+01  0.117916D+02  0.398131D+00  0.164985D+01
      2   0.939992D+01  0.342870D+00 -0.724789D+01 -0.791607D+00 -0.135048D+00
      3   0.176427D+02 -0.879131D+01 -0.454374D+01  0.393477D+00 -0.151480D+01
      4   0.213782D+02 -0.167378D+02 -0.931811D+01  0.364916D+01  0.505890D+01
      5   0.172410D+02 -0.634082D+01 -0.121104D+02 -0.112078D+01 -0.188292D+01
      6  -0.810738D+01  0.454846D+01  0.658838D+01 -0.224307D+01 -0.617693D+00
               201           202           203           204           205 
      1  -0.131149D+01  0.314263D+01 -0.126972D+02  0.595248D+01 -0.143958D+01
      2   0.538603D+00 -0.104320D+01  0.127974D+02 -0.228156D+01  0.284957D+01
      3   0.772891D+00 -0.209944D+01 -0.100194D+00 -0.367092D+01 -0.140999D+01
      4  -0.103563D+01  0.550573D+01  0.887706D+01 -0.290096D+01 -0.114959D+01
      5   0.122398D+01 -0.238293D+01 -0.369784D+01  0.260939D+01  0.191743D+01
      6   0.450027D+00 -0.685965D+00 -0.106081D+02  0.648291D+01  0.202126D+01
               206           207           208           209           210 
      1   0.473872D+01 -0.137164D+01 -0.261622D+00 -0.148834D+01  0.401173D+00
      2  -0.243994D+01  0.600346D+00  0.222542D+01  0.907820D+00 -0.152832D+00
      3  -0.229877D+01  0.771298D+00 -0.196380D+01  0.580519D+00 -0.248341D+00
      4  -0.131565D+01  0.509442D+00 -0.138262D+01  0.509842D+01 -0.105234D+01
      5   0.169424D+01 -0.399625D+00  0.102715D+01 -0.529675D+00  0.698748D+00
      6   0.450341D+01 -0.356831D+01 -0.596727D+00  0.112804D+01 -0.128329D+00
               211           212           213           214           215 
      1  -0.543300D+01 -0.203386D+02  0.308698D+01  0.262898D+01  0.483370D+01
      2   0.253368D+01  0.262252D+02 -0.292649D+01 -0.325063D+00 -0.517824D+01
      3   0.289932D+01 -0.588664D+01 -0.160493D+00 -0.230392D+01  0.344534D+00
      4   0.369580D+01 -0.196657D+02  0.290113D+01 -0.161082D+01  0.509406D+01
      5  -0.539012D+00  0.216207D+01 -0.268797D+01 -0.861569D+00 -0.224064D+01
      6   0.488519D+00 -0.166326D+01  0.505543D+01  0.159533D+01  0.364606D+01
               216           217           218           219           220 
      1  -0.395055D+01  0.479576D+01  0.628920D+01 -0.585626D+01  0.472985D+01
      2   0.300956D+01 -0.348163D+01 -0.476725D+01  0.188419D+01 -0.235408D+01
      3   0.940997D+00 -0.131413D+01 -0.152195D+01  0.397206D+01 -0.237577D+01
      4  -0.272818D+01  0.206285D+01 -0.339986D+01 -0.923597D+00  0.284804D+01
      5   0.169062D+01 -0.277820D+01  0.473335D+00 -0.843829D+00 -0.277220D+00
      6  -0.224673D+01 -0.211925D+01  0.121831D+01 -0.275179D+01 -0.820079D+00
               221           222           223           224           225 
      1  -0.785014D+01  0.456102D+01 -0.964049D+01  0.501235D+01 -0.165024D+02
      2   0.659483D+01 -0.356974D+01  0.506295D+01 -0.314432D+01 -0.373402D+01
      3   0.125530D+01 -0.991284D+00  0.457754D+01 -0.186802D+01  0.202364D+02
      4   0.825871D+01 -0.596858D+01 -0.100958D+02 -0.162067D+02  0.138090D+02
      5  -0.645479D+01  0.863345D+01  0.906977D+01  0.158638D+02 -0.430340D+02
      6  -0.539909D+01  0.942084D+01  0.305069D+01  0.135228D+02 -0.230377D+02
               226           227           228           229           230 
      1   0.851038D+02  0.199716D+02  0.585762D+01  0.749805D+01  0.742094D+01
      2  -0.386836D+02 -0.508646D+01 -0.254912D+01  0.377105D+00 -0.150086D+00
      3  -0.464202D+02 -0.148852D+02 -0.330851D+01 -0.787515D+01 -0.727086D+01
      4   0.425653D+02  0.235128D+02  0.326336D+01  0.146706D+02  0.939836D+01
      5   0.308882D+01  0.110371D+01  0.129755D+02  0.750633D+00  0.187371D+01
      6   0.289793D+01  0.583257D+00  0.452214D+01  0.807505D-02  0.106507D+01
               231           232           233           234           235 
      1   0.309394D+00  0.125651D+02  0.273808D+01  0.719343D+01 -0.585212D+01
      2   0.942591D+00 -0.616246D+01  0.258822D+00 -0.441529D+01  0.552153D+01
      3  -0.125199D+01 -0.640263D+01 -0.299691D+01 -0.277815D+01  0.330587D+00
      4   0.226242D+01  0.711406D+01  0.526253D+01  0.637847D+01 -0.962114D+00
      5   0.237792D+01  0.117872D+02  0.501926D+01  0.262478D+01  0.422832D+01
      6   0.231159D+01  0.381779D+01  0.323256D+01  0.779368D+00  0.344242D+01
               236           237           238           239           240 
      1   0.149410D+02  0.884334D+01  0.151028D+02 -0.210266D+02 -0.837299D+01
      2  -0.153376D+02 -0.613188D+01 -0.988320D+01  0.265088D+02  0.929276D+01
      3   0.396595D+00 -0.271146D+01 -0.521961D+01 -0.548217D+01 -0.919775D+00
      4  -0.102164D+02 -0.356137D+00  0.283702D+01  0.204813D+02  0.613309D+01
      5  -0.216094D+01 -0.575796D+01 -0.298556D+01  0.747282D+01  0.977821D+01
      6  -0.426708D+01 -0.545017D+01 -0.198929D+01  0.831494D+01  0.850447D+01
               241           242           243 
      1   0.109930D+02 -0.997610D+01 -0.126839D+02
      2  -0.558905D+01  0.123677D+02  0.787748D+01
      3  -0.540392D+01 -0.239163D+01  0.480642D+01
      4   0.356983D+01  0.126173D+02  0.845790D+01
      5  -0.723305D+00  0.104777D+02  0.725354D+01
      6  -0.185752D+01  0.110254D+02  0.778043D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 22:24:21 2021, MaxMem=  5637144576 cpu:           26274.3 elap:            3292.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.90790 -10.13125 -10.06971 -10.06590 -10.05777
 Alpha  occ. eigenvalues --  -10.04987 -10.04422 -10.04316 -10.04160 -10.03622
 Alpha  occ. eigenvalues --  -10.03497  -1.12509  -0.97812  -0.90603  -0.85667
 Alpha  occ. eigenvalues --   -0.83873  -0.79820  -0.78663  -0.72374  -0.69953
 Alpha  occ. eigenvalues --   -0.63935  -0.62332  -0.58982  -0.57918  -0.57566
 Alpha  occ. eigenvalues --   -0.55220  -0.54504  -0.52852  -0.52035  -0.50797
 Alpha  occ. eigenvalues --   -0.49029  -0.48872  -0.47355  -0.46677  -0.46242
 Alpha  occ. eigenvalues --   -0.45101  -0.43206  -0.41677  -0.41082  -0.39301
 Alpha  occ. eigenvalues --   -0.35925  -0.34010
 Alpha virt. eigenvalues --    0.01223   0.02563   0.03445   0.03703   0.03953
 Alpha virt. eigenvalues --    0.05130   0.05563   0.05579   0.05806   0.06030
 Alpha virt. eigenvalues --    0.07237   0.07855   0.08252   0.08720   0.08881
 Alpha virt. eigenvalues --    0.09026   0.09963   0.10829   0.11949   0.12298
 Alpha virt. eigenvalues --    0.12529   0.12957   0.13111   0.13383   0.13724
 Alpha virt. eigenvalues --    0.14373   0.14708   0.14882   0.15212   0.15326
 Alpha virt. eigenvalues --    0.15645   0.16187   0.16361   0.16489   0.17127
 Alpha virt. eigenvalues --    0.17863   0.18211   0.18451   0.18860   0.19062
 Alpha virt. eigenvalues --    0.19334   0.19784   0.20208   0.20499   0.21078
 Alpha virt. eigenvalues --    0.21382   0.21854   0.22150   0.22455   0.22763
 Alpha virt. eigenvalues --    0.23226   0.23878   0.24564   0.25067   0.25187
 Alpha virt. eigenvalues --    0.26262   0.26963   0.27225   0.27556   0.28286
 Alpha virt. eigenvalues --    0.29044   0.29563   0.29826   0.30173   0.31221
 Alpha virt. eigenvalues --    0.31596   0.32045   0.32336   0.32960   0.33566
 Alpha virt. eigenvalues --    0.34193   0.34786   0.35317   0.36010   0.36478
 Alpha virt. eigenvalues --    0.36848   0.37252   0.37704   0.37924   0.38512
 Alpha virt. eigenvalues --    0.39208   0.39895   0.39965   0.40525   0.40954
 Alpha virt. eigenvalues --    0.41119   0.42431   0.42779   0.43132   0.43856
 Alpha virt. eigenvalues --    0.44272   0.44482   0.44948   0.45365   0.45500
 Alpha virt. eigenvalues --    0.46598   0.46904   0.47407   0.47728   0.48199
 Alpha virt. eigenvalues --    0.48390   0.48985   0.49631   0.50200   0.50805
 Alpha virt. eigenvalues --    0.51143   0.51859   0.52788   0.53668   0.54275
 Alpha virt. eigenvalues --    0.54635   0.55073   0.55759   0.56222   0.57121
 Alpha virt. eigenvalues --    0.57909   0.58228   0.58924   0.59171   0.59671
 Alpha virt. eigenvalues --    0.60059   0.60209   0.61072   0.61572   0.61833
 Alpha virt. eigenvalues --    0.62758   0.63045   0.63403   0.63814   0.64547
 Alpha virt. eigenvalues --    0.64910   0.65167   0.66046   0.66481   0.66802
 Alpha virt. eigenvalues --    0.67567   0.67833   0.68978   0.69485   0.70178
 Alpha virt. eigenvalues --    0.70696   0.71178   0.71608   0.72084   0.72703
 Alpha virt. eigenvalues --    0.72962   0.73367   0.73879   0.74910   0.75522
 Alpha virt. eigenvalues --    0.76280   0.76975   0.77299   0.77423   0.78096
 Alpha virt. eigenvalues --    0.78731   0.79324   0.79906   0.80461   0.81160
 Alpha virt. eigenvalues --    0.81215   0.82213   0.82427   0.82838   0.83274
 Alpha virt. eigenvalues --    0.84650   0.85220   0.85764   0.86602   0.86958
 Alpha virt. eigenvalues --    0.87323   0.88467   0.89047   0.90162   0.91210
 Alpha virt. eigenvalues --    0.92247   0.92624   0.94311   0.94655   0.95169
 Alpha virt. eigenvalues --    0.95837   0.96746   0.97448   0.98516   0.99286
 Alpha virt. eigenvalues --    1.01029   1.01786   1.02409   1.03648   1.05068
 Alpha virt. eigenvalues --    1.06339   1.07257   1.07530   1.09250   1.09975
 Alpha virt. eigenvalues --    1.11223   1.12266   1.13322   1.14267   1.15122
 Alpha virt. eigenvalues --    1.16227   1.18208   1.19200   1.20214   1.21005
 Alpha virt. eigenvalues --    1.22329   1.23742   1.25129   1.27115   1.27553
 Alpha virt. eigenvalues --    1.28360   1.30461   1.30977   1.32035   1.33711
 Alpha virt. eigenvalues --    1.35691   1.36490   1.36643   1.39315   1.42763
 Alpha virt. eigenvalues --    1.44461   1.45593   1.47056   1.49241   1.50049
 Alpha virt. eigenvalues --    1.51036   1.53594   1.53949   1.54577   1.55530
 Alpha virt. eigenvalues --    1.56491   1.57949   1.58694   1.59250   1.60022
 Alpha virt. eigenvalues --    1.61712   1.62914   1.63385   1.65161   1.66380
 Alpha virt. eigenvalues --    1.67499   1.68857   1.68954   1.70366   1.71007
 Alpha virt. eigenvalues --    1.71608   1.73900   1.74628   1.75372   1.76333
 Alpha virt. eigenvalues --    1.76384   1.77534   1.78827   1.80706   1.81516
 Alpha virt. eigenvalues --    1.83141   1.83590   1.84284   1.84938   1.85695
 Alpha virt. eigenvalues --    1.86408   1.87751   1.88276   1.89884   1.91339
 Alpha virt. eigenvalues --    1.91811   1.94888   1.95160   1.96126   1.98113
 Alpha virt. eigenvalues --    1.99035   2.02058   2.02365   2.03107   2.03971
 Alpha virt. eigenvalues --    2.05645   2.06813   2.07114   2.08364   2.09411
 Alpha virt. eigenvalues --    2.10652   2.11075   2.13016   2.13331   2.14439
 Alpha virt. eigenvalues --    2.15478   2.16044   2.18167   2.18610   2.20191
 Alpha virt. eigenvalues --    2.20621   2.21906   2.24432   2.24974   2.25941
 Alpha virt. eigenvalues --    2.26495   2.28018   2.28738   2.29952   2.30879
 Alpha virt. eigenvalues --    2.31366   2.34928   2.35726   2.37515   2.37956
 Alpha virt. eigenvalues --    2.39646   2.41806   2.42252   2.45692   2.45767
 Alpha virt. eigenvalues --    2.47999   2.49279   2.49509   2.51507   2.52425
 Alpha virt. eigenvalues --    2.54299   2.56344   2.57083   2.58902   2.59456
 Alpha virt. eigenvalues --    2.61956   2.65041   2.65377   2.67517   2.67871
 Alpha virt. eigenvalues --    2.68691   2.71124   2.72558   2.73928   2.74515
 Alpha virt. eigenvalues --    2.76347   2.80181   2.81804   2.83689   2.85430
 Alpha virt. eigenvalues --    2.87761   2.92945   2.94234   2.95729   3.00985
 Alpha virt. eigenvalues --    3.04698   3.09175   3.12454   3.23523   3.27499
 Alpha virt. eigenvalues --    3.36463   3.43934   3.48450   3.50242   3.53245
 Alpha virt. eigenvalues --    3.70121   3.75170   3.89468   3.99158   5.09996
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.648885  -0.363510  -0.131987  -0.455671   0.158685  -0.013407
     2  C   -0.363510   9.787987  -3.575378   1.839482  -0.566547   0.058049
     3  C   -0.131987  -3.575378  20.589973  -7.341843  -0.858810  -0.632757
     4  C   -0.455671   1.839482  -7.341843  17.999749  -4.262202  -1.710217
     5  C    0.158685  -0.566547  -0.858810  -4.262202  15.829191  -2.225913
     6  C   -0.013407   0.058049  -0.632757  -1.710217  -2.225913   9.779497
     7  O   -0.001261  -0.001435   0.013369  -0.041795  -0.087986   0.255481
     8  C   -0.293036  -0.247026   0.053270  -0.295236   0.001252   0.016244
     9  C   -0.359748  -1.312068   1.713658  -0.430686  -0.052701  -0.063354
    10  C    0.147297   1.086521  -2.319228   0.351991  -0.727624  -0.062425
    11  C   -0.007977   0.017977  -0.167757  -0.036439  -0.190733   0.357891
    12  H    0.077839   0.277775  -0.065879   0.032105   0.049692   0.002061
    13  H    0.002534  -0.212338   0.230258  -0.058703  -0.018546  -0.002577
    14  H    0.129859   0.558851  -2.456100   0.650664   0.237186   0.012355
    15  H    0.052927   0.339612  -0.141900  -0.427635   0.085139   0.024472
    16  H   -0.064487  -0.247488   0.357417   0.429382   0.009764   0.009103
    17  H    0.201690   0.067641  -0.478208   0.093188   0.059872   0.011357
    18  H   -0.121855   0.606753   0.105316  -0.188340   0.043326  -0.012201
    19  H    0.280661  -0.252621   0.189794   0.024542   0.014119   0.007260
    20  H   -0.035041   0.445868  -0.380280   0.176861  -0.003335   0.004292
    21  H   -0.049750   0.102186   0.011372  -0.008655  -0.004776  -0.010465
    22  H    0.060667  -0.273021   0.245457  -0.099807   0.008628   0.001040
    23  H   -0.010375  -0.239403   0.745448  -1.796025  -0.951345   0.241959
    24  H    0.027825   0.081427  -0.685398   0.781925  -1.945815  -0.067716
    25  H   -0.003702   0.010211  -0.036390   0.096559  -0.228996   0.039601
    26  H   -0.001236  -0.002037   0.014310  -0.071836   0.370617  -0.051506
    27  H   -0.001143   0.003244  -0.006407   0.049277  -0.201190   0.018849
               7          8          9         10         11         12
     1  C   -0.001261  -0.293036  -0.359748   0.147297  -0.007977   0.077839
     2  C   -0.001435  -0.247026  -1.312068   1.086521   0.017977   0.277775
     3  C    0.013369   0.053270   1.713658  -2.319228  -0.167757  -0.065879
     4  C   -0.041795  -0.295236  -0.430686   0.351991  -0.036439   0.032105
     5  C   -0.087986   0.001252  -0.052701  -0.727624  -0.190733   0.049692
     6  C    0.255481   0.016244  -0.063354  -0.062425   0.357891   0.002061
     7  O    8.449785  -0.000431   0.000541  -0.000069  -0.012865   0.000111
     8  C   -0.000431   5.642759  -0.185565  -0.043931   0.006201  -0.212681
     9  C    0.000541  -0.185565   7.372028  -0.896594  -0.009229  -0.519813
    10  C   -0.000069  -0.043931  -0.896594   7.912137  -0.030504  -0.009029
    11  C   -0.012865   0.006201  -0.009229  -0.030504   4.878790   0.000298
    12  H    0.000111  -0.212681  -0.519813  -0.009029   0.000298   2.579192
    13  H   -0.000100   0.084699  -0.332830   0.114878  -0.001628  -0.677062
    14  H    0.002380  -0.042662  -0.435182   0.218254   0.008457   0.025445
    15  H    0.000006   0.045460  -0.212479  -0.415481   0.007163   0.202892
    16  H   -0.001006   0.003397   0.163296  -0.596193   0.000743  -0.223999
    17  H   -0.000894  -0.063014  -0.022551   0.175789  -0.002573  -0.009012
    18  H    0.002310  -0.006168  -0.138562  -0.118912  -0.003825   0.010022
    19  H   -0.000252   0.043281   0.018350  -0.096477   0.002531   0.033536
    20  H   -0.000133  -0.048455  -0.129669   0.167205   0.001218  -0.023118
    21  H    0.000210   0.387917  -0.062793  -0.025810   0.002148  -0.004165
    22  H   -0.000010   0.139867   0.150206  -0.061672  -0.000660  -0.028444
    23  H   -0.013269   0.013727   0.128712  -0.102707  -0.096251   0.007248
    24  H   -0.084551  -0.001261  -0.039412   0.289980  -0.063256   0.001695
    25  H    0.026533   0.000035  -0.004324  -0.001501   0.439905  -0.000053
    26  H   -0.036114   0.001030  -0.000024   0.002470  -0.043838   0.000020
    27  H    0.031426   0.001489  -0.001028  -0.013717   0.452344   0.000018
              13         14         15         16         17         18
     1  C    0.002534   0.129859   0.052927  -0.064487   0.201690  -0.121855
     2  C   -0.212338   0.558851   0.339612  -0.247488   0.067641   0.606753
     3  C    0.230258  -2.456100  -0.141900   0.357417  -0.478208   0.105316
     4  C   -0.058703   0.650664  -0.427635   0.429382   0.093188  -0.188340
     5  C   -0.018546   0.237186   0.085139   0.009764   0.059872   0.043326
     6  C   -0.002577   0.012355   0.024472   0.009103   0.011357  -0.012201
     7  O   -0.000100   0.002380   0.000006  -0.001006  -0.000894   0.002310
     8  C    0.084699  -0.042662   0.045460   0.003397  -0.063014  -0.006168
     9  C   -0.332830  -0.435182  -0.212479   0.163296  -0.022551  -0.138562
    10  C    0.114878   0.218254  -0.415481  -0.596193   0.175789  -0.118912
    11  C   -0.001628   0.008457   0.007163   0.000743  -0.002573  -0.003825
    12  H   -0.677062   0.025445   0.202892  -0.223999  -0.009012   0.010022
    13  H    2.544705  -0.000374  -0.296208   0.148759   0.025364  -0.026675
    14  H   -0.000374   2.931298   0.161760  -0.210009   0.013640   0.008554
    15  H   -0.296208   0.161760   2.935237  -0.670477   0.001020  -0.002326
    16  H    0.148759  -0.210009  -0.670477   2.352620   0.005951  -0.010050
    17  H    0.025364   0.013640   0.001020   0.005951   2.074722  -0.490284
    18  H   -0.026675   0.008554  -0.002326  -0.010050  -0.490284   2.041016
    19  H   -0.057983   0.007769   0.012733  -0.006689  -0.521877  -0.490459
    20  H    0.008738  -0.053053   0.006406   0.013693   0.017053  -0.026954
    21  H   -0.001012  -0.000361   0.002896  -0.004664  -0.062840   0.018598
    22  H    0.025143   0.024107  -0.010674   0.002687   0.019874   0.008696
    23  H   -0.003427  -0.239151  -0.021978   0.012293   0.031841  -0.016683
    24  H   -0.003565  -0.030480  -0.048661   0.005203   0.015384  -0.035027
    25  H   -0.000100   0.002803   0.002002   0.000128   0.001967  -0.000545
    26  H    0.000022   0.001634  -0.000596   0.000269   0.001839  -0.000219
    27  H   -0.000178   0.001241  -0.000206  -0.000255  -0.012521   0.005264
              19         20         21         22         23         24
     1  C    0.280661  -0.035041  -0.049750   0.060667  -0.010375   0.027825
     2  C   -0.252621   0.445868   0.102186  -0.273021  -0.239403   0.081427
     3  C    0.189794  -0.380280   0.011372   0.245457   0.745448  -0.685398
     4  C    0.024542   0.176861  -0.008655  -0.099807  -1.796025   0.781925
     5  C    0.014119  -0.003335  -0.004776   0.008628  -0.951345  -1.945815
     6  C    0.007260   0.004292  -0.010465   0.001040   0.241959  -0.067716
     7  O   -0.000252  -0.000133   0.000210  -0.000010  -0.013269  -0.084551
     8  C    0.043281  -0.048455   0.387917   0.139867   0.013727  -0.001261
     9  C    0.018350  -0.129669  -0.062793   0.150206   0.128712  -0.039412
    10  C   -0.096477   0.167205  -0.025810  -0.061672  -0.102707   0.289980
    11  C    0.002531   0.001218   0.002148  -0.000660  -0.096251  -0.063256
    12  H    0.033536  -0.023118  -0.004165  -0.028444   0.007248   0.001695
    13  H   -0.057983   0.008738  -0.001012   0.025143  -0.003427  -0.003565
    14  H    0.007769  -0.053053  -0.000361   0.024107  -0.239151  -0.030480
    15  H    0.012733   0.006406   0.002896  -0.010674  -0.021978  -0.048661
    16  H   -0.006689   0.013693  -0.004664   0.002687   0.012293   0.005203
    17  H   -0.521877   0.017053  -0.062840   0.019874   0.031841   0.015384
    18  H   -0.490459  -0.026954   0.018598   0.008696  -0.016683  -0.035027
    19  H    1.994788   0.014619   0.005873  -0.017699  -0.001146   0.005945
    20  H    0.014619   1.911529  -0.420536  -0.407586   0.034760   0.003661
    21  H    0.005873  -0.420536   1.567594  -0.305552  -0.066426  -0.008709
    22  H   -0.017699  -0.407586  -0.305552   1.614282  -0.007163   0.001951
    23  H   -0.001146   0.034760  -0.066426  -0.007163   4.345335   0.285424
    24  H    0.005945   0.003661  -0.008709   0.001951   0.285424   3.480687
    25  H   -0.000258   0.000141   0.000695  -0.000125  -0.066998  -0.023508
    26  H   -0.000055   0.000113   0.000005   0.000035  -0.001719   0.008662
    27  H   -0.000291  -0.000284   0.001075   0.000055  -0.040969  -0.018035
              25         26         27
     1  C   -0.003702  -0.001236  -0.001143
     2  C    0.010211  -0.002037   0.003244
     3  C   -0.036390   0.014310  -0.006407
     4  C    0.096559  -0.071836   0.049277
     5  C   -0.228996   0.370617  -0.201190
     6  C    0.039601  -0.051506   0.018849
     7  O    0.026533  -0.036114   0.031426
     8  C    0.000035   0.001030   0.001489
     9  C   -0.004324  -0.000024  -0.001028
    10  C   -0.001501   0.002470  -0.013717
    11  C    0.439905  -0.043838   0.452344
    12  H   -0.000053   0.000020   0.000018
    13  H   -0.000100   0.000022  -0.000178
    14  H    0.002803   0.001634   0.001241
    15  H    0.002002  -0.000596  -0.000206
    16  H    0.000128   0.000269  -0.000255
    17  H    0.001967   0.001839  -0.012521
    18  H   -0.000545  -0.000219   0.005264
    19  H   -0.000258  -0.000055  -0.000291
    20  H    0.000141   0.000113  -0.000284
    21  H    0.000695   0.000005   0.001075
    22  H   -0.000125   0.000035   0.000055
    23  H   -0.066998  -0.001719  -0.040969
    24  H   -0.023508   0.008662  -0.018035
    25  H    1.116471  -0.270757  -0.117895
    26  H   -0.270757   1.709263  -0.297859
    27  H   -0.117895  -0.297859   1.134768
 Mulliken charges:
               1
     1  C    1.125318
     2  C   -1.990710
     3  C    1.008678
     4  C    0.699366
     5  C    1.459050
     6  C    0.013028
     7  O   -0.499981
     8  C    0.998841
     9  C    1.661823
    10  C    1.055353
    11  C    0.491866
    12  H   -0.526695
    13  H   -0.491795
    14  H   -0.528883
    15  H   -0.631102
    16  H   -0.479387
    17  H   -0.154418
    18  H   -0.160769
    19  H   -0.209992
    20  H   -0.277711
    21  H   -0.064053
    22  H   -0.090280
    23  H   -1.171713
    24  H   -0.934374
    25  H    0.018104
    26  H   -0.332492
    27  H    0.012929
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.600140
     2  C   -1.990710
     3  C    0.479794
     4  C   -0.472347
     5  C    0.524676
     6  C    0.013028
     7  O   -0.499981
     8  C    0.566796
     9  C    0.643332
    10  C   -0.055136
    11  C    0.190407
 Electronic spatial extent (au):  <R**2>=           2424.9320
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.4436    Y=              2.0847    Z=             -1.1344  Tot=              4.1822
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -81.8809   YY=            -68.8199   ZZ=            -68.9361
   XY=              8.2939   XZ=             -3.3819   YZ=              0.3492
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.6686   YY=              4.3924   ZZ=              4.2762
   XY=              8.2939   XZ=             -3.3819   YZ=              0.3492
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -53.0571  YYY=             -0.5943  ZZZ=             -0.5969  XYY=              1.9584
  XXY=             31.0732  XXZ=            -14.0549  XZZ=             -0.6650  YZZ=             -0.6695
  YYZ=             -0.3749  XYZ=              1.4120
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2684.7442 YYYY=           -576.2166 ZZZZ=           -303.1885 XXXY=            114.4535
 XXXZ=            -56.2209 YYYX=              2.1973 YYYZ=              2.1907 ZZZX=              5.3640
 ZZZY=             -3.9565 XXYY=           -521.5497 XXZZ=           -452.0047 YYZZ=           -144.9853
 XXYZ=             17.6240 YYXZ=             -1.3852 ZZXY=              4.3693
 N-N= 6.118258063864D+02 E-N=-2.303939098208D+03  KE= 4.621043501603D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 22:24:22 2021, MaxMem=  5637144576 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.36998274D+00 7.76974834D-01-4.37281448D-01
 Polarizability= 1.56905145D+02-4.62895229D+00 1.14848454D+02
                 5.96253885D+00-2.88982289D+00 9.71737064D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.3940   -3.3944       -2.9429   -2.9434
 2      3.3940    3.3944        1.6076    1.6081      -22.9468  -22.9502
 3      2.9429    2.9434       32.0649   32.0669       -1.6082   -1.6081
 4     -1.6076   -1.6081       -0.0000    0.0000        2.9436    2.9434
 5     -9.1181   -9.1167       -2.9436   -2.9434       -3.3921   -3.3944
 6      1.6082    1.6081        3.3921    3.3944        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       10.1831   10.1831       -8.8302   -8.8302
 2     -4.8242   -4.8242        0.0000    0.0000       -8.8302   -8.8302
 3     -4.8242   -4.8242       10.1831   10.1831       -0.0000    0.0000
 4     10.1831   10.1831        4.8242    4.8242      -68.8506  -68.8506
 5      8.8302    8.8302       96.2008   96.2008       -4.8242   -4.8242
 6    -27.3502  -27.3502       -8.8302   -8.8302      -10.1831  -10.1831
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0559    0.0000       13.6084   13.5774       11.9338   11.7736
 2    -13.6263  -13.5774       -6.4248   -6.4323       91.9516   91.8008
 3    -11.7968  -11.7736     -128.3528 -128.2677        6.3865    6.4323
 4      6.4465    6.4323       -0.0210    0.0000      -11.7592  -11.7736
 5     36.4804   36.4669       11.7621   11.7736       13.6087   13.5774
 6     -6.4009   -6.4323      -13.5534  -13.5774        0.0200    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0288    0.0000      -12.7299  -12.6866      -39.8982  -39.8735
 2     12.6153   12.6866      -17.2209  -17.1581       33.4989   33.5302
 3     39.9559   39.8735       20.5828   20.6996       17.1143   17.1581
 4     17.1713   17.1581        0.0248    0.0000       39.9585   39.8735
 5    -54.2307  -54.2298      -39.8590  -39.8735      -12.6263  -12.6866
 6    -17.1615  -17.1581       12.7038   12.6866       -0.0539    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     31.9859   32.0104       25.3082   25.2985       35.2178   35.2985
 2     54.6597   54.6664       14.9416   14.9609       35.3098   35.2985
 3     54.6933   54.6664       25.2955   25.2985       53.0619   53.0022
 4     10.2281   10.3376      -22.7543  -22.6560       50.4664   50.5380
 5     17.7334   17.7037       40.4141   40.4186       22.6015   22.6560
 6    -90.9731  -90.9567      -17.6474  -17.7037      -10.1954  -10.3376
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.5795    0.0008    0.0009    0.0010    2.2632    3.8412
 Low frequencies ---   36.0362   72.0154   86.3935
 Diagonal vibrational polarizability:
       18.1978546      10.1812590      66.2084768
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     36.0333                72.0150                86.3932
 Red. masses --      3.8528                 3.2735                 3.1515
 Frc consts  --      0.0029                 0.0100                 0.0139
 IR Inten    --      3.4167                 0.1986                 1.4861
 RamAct Fr= 1--      1.6672                 0.8967                 0.1405
  Dep-P Fr= 1--      0.7495                 0.6216                 0.7251
  Dep-U Fr= 1--      0.8568                 0.7666                 0.8406
 Alpha2 Fr= 1--      0.0000                 0.0021                 0.0001
 Beta2  Fr= 1--      0.2381                 0.1146                 0.0197
 AlphaG Fr= 1--     -0.0005                -0.0113                -0.0002
 Gamma2 Fr= 1--      0.8853                 0.2724                -0.0599
 Delta2 Fr= 1--      0.5240                 0.2649                -0.0598
 Raman1 Fr= 1--       6.669                  3.587                  0.562
 ROA1   Fr= 1--     101.754                 34.631                 -7.661
 CID1   Fr= 1--      15.258                  9.655                -13.633
 Raman2 Fr= 1--       2.857                  1.375                  0.236
 ROA2   Fr= 1--      17.054                  4.419                 -0.958
 CID2   Fr= 1--       5.969                  3.214                 -4.056
 Raman3 Fr= 1--       5.714                  2.750                  0.472
 ROA3   Fr= 1--     101.754                 34.631                 -7.661
 CID3   Fr= 1--      17.808                 12.594                -16.218
 RC180  Fr= 1--       0.714                  0.533                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.12   0.04     0.23   0.04  -0.07    -0.02  -0.11   0.03
     2   6     0.03  -0.02   0.03     0.07   0.00  -0.01     0.02  -0.00  -0.01
     3   6    -0.01   0.01  -0.06    -0.03  -0.06  -0.10     0.00  -0.09   0.04
     4   6    -0.00  -0.01  -0.09    -0.02  -0.08  -0.14     0.00  -0.11   0.03
     5   6    -0.03   0.02   0.03    -0.02  -0.05  -0.09     0.02  -0.06   0.07
     6   6    -0.03   0.03   0.04    -0.06   0.01   0.03     0.01   0.03  -0.01
     7   8    -0.09   0.09   0.26    -0.05   0.04   0.04     0.09   0.10  -0.07
     8   6     0.04   0.05   0.13     0.05   0.01   0.03     0.20   0.12  -0.02
     9   6    -0.00  -0.00  -0.04     0.03   0.03   0.11    -0.11   0.06  -0.09
    10   6    -0.02  -0.00  -0.11    -0.05  -0.03  -0.03    -0.10  -0.05   0.07
    11   6     0.03  -0.05  -0.25    -0.14   0.06   0.18    -0.12   0.06  -0.03
    12   1    -0.02   0.06  -0.03    -0.07   0.03   0.21    -0.01   0.12  -0.20
    13   1     0.01  -0.05  -0.05     0.14   0.07   0.18    -0.27   0.10  -0.15
    14   1    -0.06   0.07  -0.03    -0.09  -0.06  -0.08     0.02  -0.12   0.03
    15   1    -0.01  -0.06  -0.14     0.03  -0.06  -0.09    -0.20  -0.02   0.15
    16   1    -0.06   0.04  -0.15    -0.17  -0.04  -0.02    -0.07  -0.09   0.11
    17   1     0.12  -0.14   0.07     0.25   0.02  -0.17     0.08  -0.18   0.11
    18   1     0.08  -0.17  -0.04     0.25   0.04  -0.10    -0.15  -0.19   0.04
    19   1     0.12  -0.14   0.08     0.30   0.09   0.00    -0.04  -0.04  -0.01
    20   1    -0.00   0.12   0.12    -0.07  -0.02   0.08     0.22   0.20  -0.05
    21   1     0.06   0.04   0.17     0.07  -0.02  -0.08     0.33   0.04   0.04
    22   1     0.07   0.03   0.18     0.13   0.07   0.11     0.20   0.22  -0.07
    23   1     0.03  -0.04  -0.20    -0.02  -0.08  -0.15    -0.01  -0.12  -0.02
    24   1    -0.06   0.06   0.16    -0.01  -0.06  -0.09     0.07  -0.05   0.12
    25   1     0.10  -0.27  -0.30    -0.14   0.18   0.20    -0.19   0.05  -0.01
    26   1     0.02  -0.04  -0.22    -0.15   0.10   0.21    -0.12   0.14  -0.08
    27   1     0.02   0.10  -0.43    -0.18  -0.04   0.25    -0.14   0.02   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.5737               152.0711               166.1082
 Red. masses --      1.0291                 3.3303                 2.6395
 Frc consts  --      0.0094                 0.0454                 0.0429
 IR Inten    --      0.0277                 1.0902                 1.9110
 RamAct Fr= 1--      0.0771                 0.5499                 0.5846
  Dep-P Fr= 1--      0.6683                 0.7318                 0.7038
  Dep-U Fr= 1--      0.8012                 0.8451                 0.8261
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0005
 Beta2  Fr= 1--      0.0103                 0.0775                 0.0805
 AlphaG Fr= 1--     -0.0006                -0.0076                 0.0022
 Gamma2 Fr= 1--     -0.0113                -0.5236                 0.5155
 Delta2 Fr= 1--      0.0290                -0.0441                -0.0860
 Raman1 Fr= 1--       0.308                  2.200                  2.339
 ROA1   Fr= 1--      -0.161                -51.671                 46.733
 CID1   Fr= 1--      -0.522                -23.492                 19.984
 Raman2 Fr= 1--       0.124                  0.929                  0.966
 ROA2   Fr= 1--      -0.504                -12.213                 13.059
 CID2   Fr= 1--      -4.082                -13.140                 13.520
 Raman3 Fr= 1--       0.247                  1.859                  1.932
 ROA3   Fr= 1--      -0.161                -51.671                 46.733
 CID3   Fr= 1--      -0.652                -27.796                 24.190
 RC180  Fr= 1--       0.602                  0.690                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.07   0.01  -0.04     0.02  -0.10  -0.01
     2   6     0.00   0.00   0.00     0.01  -0.01  -0.01    -0.01  -0.02  -0.03
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.05    -0.02  -0.04  -0.02
     4   6    -0.00  -0.00   0.01     0.00  -0.01  -0.02    -0.03   0.07  -0.16
     5   6     0.00  -0.00  -0.00    -0.09   0.09   0.36    -0.06   0.12  -0.01
     6   6    -0.00   0.00   0.01    -0.02   0.02   0.08    -0.03   0.03  -0.01
     7   8     0.01  -0.01  -0.03     0.03  -0.05  -0.16    -0.11  -0.06  -0.03
     8   6     0.00   0.00   0.00    -0.03  -0.02   0.01     0.04   0.04   0.03
     9   6    -0.00   0.00   0.01     0.02  -0.01   0.01    -0.00  -0.02  -0.05
    10   6    -0.00  -0.00   0.00    -0.02  -0.01  -0.10     0.09  -0.00   0.19
    11   6    -0.01   0.00   0.01    -0.01  -0.00  -0.00     0.09   0.01   0.06
    12   1    -0.00   0.00   0.01    -0.05   0.01   0.07     0.15  -0.07  -0.19
    13   1     0.00   0.00   0.01     0.10  -0.02   0.04    -0.17   0.02  -0.11
    14   1     0.00   0.00   0.00     0.01   0.05  -0.05    -0.11  -0.20  -0.02
    15   1    -0.00  -0.00  -0.00     0.01  -0.09  -0.15     0.04   0.24   0.33
    16   1    -0.01   0.00  -0.00    -0.07   0.05  -0.15     0.24  -0.17   0.35
    17   1     0.00   0.00  -0.00     0.07   0.01  -0.08     0.06  -0.12   0.02
    18   1     0.00   0.00   0.00     0.10   0.01  -0.06    -0.01  -0.13  -0.04
    19   1     0.00   0.01   0.00     0.10   0.02  -0.01     0.03  -0.09  -0.00
    20   1    -0.00  -0.00   0.00    -0.06  -0.04   0.02     0.02   0.10   0.01
    21   1     0.00  -0.00  -0.00    -0.05  -0.01  -0.02     0.07   0.02   0.07
    22   1     0.00   0.01   0.00    -0.01  -0.04   0.04     0.05   0.05   0.04
    23   1    -0.01   0.00   0.03     0.09  -0.12  -0.37    -0.05   0.02  -0.34
    24   1     0.01  -0.01  -0.03    -0.15   0.18   0.66    -0.11   0.17   0.12
    25   1     0.53  -0.21  -0.14    -0.04  -0.06  -0.01     0.17   0.06   0.06
    26   1    -0.13   0.15   0.52     0.01  -0.02  -0.07     0.09  -0.07   0.13
    27   1    -0.40   0.05  -0.43     0.03   0.05  -0.02     0.10   0.03   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    216.3733               240.6081               253.3285
 Red. masses --      1.3816                 2.2606                 1.7595
 Frc consts  --      0.0381                 0.0771                 0.0665
 IR Inten    --      0.3553                 0.7264                 0.0499
 RamAct Fr= 1--      0.5604                 1.8999                 1.7388
  Dep-P Fr= 1--      0.7057                 0.1972                 0.2367
  Dep-U Fr= 1--      0.8275                 0.3294                 0.3828
 Alpha2 Fr= 1--      0.0004                 0.0260                 0.0214
 Beta2  Fr= 1--      0.0773                 0.1043                 0.1109
 AlphaG Fr= 1--      0.0032                 0.0047                 0.0126
 Gamma2 Fr= 1--     -0.1126                 0.2165                -0.2362
 Delta2 Fr= 1--     -0.0081                 0.1230                 0.1651
 Raman1 Fr= 1--       2.242                  7.600                  6.955
 ROA1   Fr= 1--     -11.070                 24.719                -17.392
 CID1   Fr= 1--      -4.938                  3.253                 -2.501
 Raman2 Fr= 1--       0.927                  1.252                  1.331
 ROA2   Fr= 1--      -2.638                  4.211                 -6.989
 CID2   Fr= 1--      -2.845                  3.364                 -5.251
 Raman3 Fr= 1--       1.855                  2.503                  2.662
 ROA3   Fr= 1--     -11.070                 24.719                -17.392
 CID3   Fr= 1--      -5.968                  9.874                 -6.533
 RC180  Fr= 1--       0.655                 -0.341                 -0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03     0.01  -0.01  -0.01    -0.01   0.01   0.04
     2   6     0.00   0.03  -0.02    -0.03  -0.02   0.01     0.04  -0.02   0.03
     3   6     0.02   0.00  -0.01    -0.05  -0.06   0.01     0.01   0.03   0.01
     4   6     0.03  -0.04  -0.03    -0.03  -0.02  -0.01    -0.02   0.06   0.02
     5   6     0.02  -0.05   0.01     0.04   0.07  -0.03    -0.05   0.02  -0.00
     6   6     0.01  -0.02   0.00     0.07   0.07  -0.01    -0.07  -0.00  -0.00
     7   8     0.04   0.01   0.01     0.01   0.02   0.00    -0.08  -0.03  -0.02
     8   6    -0.10   0.00   0.06    -0.01  -0.03  -0.02     0.12  -0.01  -0.06
     9   6    -0.00   0.04  -0.04    -0.09   0.01   0.06     0.07  -0.04   0.05
    10   6     0.01   0.02   0.04    -0.15  -0.06  -0.04     0.07  -0.00  -0.04
    11   6    -0.05  -0.01   0.00     0.21   0.05   0.04    -0.07  -0.01  -0.02
    12   1     0.05   0.04  -0.10    -0.17   0.04   0.13     0.02  -0.07   0.11
    13   1    -0.08   0.05  -0.07    -0.02   0.04   0.10     0.15  -0.06   0.08
    14   1     0.02  -0.03  -0.02    -0.04  -0.03   0.01    -0.01   0.05   0.03
    15   1    -0.01   0.09   0.09    -0.14  -0.19  -0.10     0.11  -0.04  -0.08
    16   1     0.05  -0.03   0.09    -0.26   0.01  -0.10     0.05   0.04  -0.08
    17   1     0.12  -0.05  -0.06     0.27  -0.20  -0.07     0.28  -0.20   0.02
    18   1    -0.05  -0.02   0.00    -0.25  -0.13   0.11    -0.34  -0.12   0.23
    19   1     0.05   0.12  -0.04     0.04   0.31  -0.08    -0.04   0.36  -0.10
    20   1     0.25   0.18  -0.12     0.17   0.02  -0.10     0.43   0.06  -0.20
    21   1    -0.34   0.22   0.49    -0.06   0.03   0.15     0.11   0.03   0.20
    22   1    -0.35  -0.44  -0.10    -0.13  -0.15  -0.13    -0.07  -0.12  -0.29
    23   1     0.07  -0.06  -0.07    -0.11  -0.01  -0.04    -0.03   0.07   0.06
    24   1     0.01  -0.04   0.05     0.10   0.06  -0.01    -0.08   0.02  -0.05
    25   1    -0.05  -0.02   0.00     0.26   0.10   0.04    -0.09  -0.03  -0.02
    26   1    -0.05   0.03   0.00     0.22  -0.07   0.08    -0.07   0.01  -0.04
    27   1    -0.08  -0.04   0.00     0.26   0.09   0.04    -0.07  -0.00  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    268.4929               284.1120               355.9930
 Red. masses --      1.6473                 1.5031                 2.2780
 Frc consts  --      0.0700                 0.0715                 0.1701
 IR Inten    --      0.1351                 0.1675                 0.0425
 RamAct Fr= 1--      1.0647                 1.2118                 1.2942
  Dep-P Fr= 1--      0.1537                 0.2480                 0.4899
  Dep-U Fr= 1--      0.2665                 0.3975                 0.6576
 Alpha2 Fr= 1--      0.0163                 0.0144                 0.0067
 Beta2  Fr= 1--      0.0473                 0.0803                 0.1418
 AlphaG Fr= 1--      0.0277                 0.0346                -0.0207
 Gamma2 Fr= 1--      0.5880                -0.8708                 0.0965
 Delta2 Fr= 1--      0.1863                -0.0895                 0.0746
 Raman1 Fr= 1--       4.259                  4.847                  5.177
 ROA1   Fr= 1--      62.413                -86.464                 11.649
 CID1   Fr= 1--      14.656                -17.838                  2.250
 Raman2 Fr= 1--       0.567                  0.963                  1.702
 ROA2   Fr= 1--      12.623                -20.184                  1.719
 CID2   Fr= 1--      22.247                -20.952                  1.010
 Raman3 Fr= 1--       1.135                  1.927                  3.404
 ROA3   Fr= 1--      62.413                -86.464                 11.649
 CID3   Fr= 1--      55.000                -44.877                  3.422
 RC180  Fr= 1--      -0.467                 -0.205                  0.315
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.03  -0.09     0.09  -0.03  -0.05    -0.04   0.20  -0.04
     2   6    -0.02  -0.01  -0.04     0.01  -0.01  -0.02    -0.00  -0.07   0.02
     3   6     0.00   0.01   0.01    -0.01  -0.02   0.01    -0.00  -0.07   0.01
     4   6    -0.03   0.05   0.14    -0.05   0.05   0.12    -0.03  -0.03   0.01
     5   6    -0.01   0.00   0.02    -0.02   0.03   0.01    -0.01   0.00   0.00
     6   6    -0.01   0.00   0.02    -0.03   0.02   0.01    -0.02   0.02  -0.00
     7   8    -0.00  -0.00  -0.01    -0.04  -0.01  -0.02    -0.03  -0.00  -0.01
     8   6    -0.06  -0.00   0.02     0.05   0.00  -0.04     0.07   0.05   0.14
     9   6    -0.02  -0.01  -0.06    -0.02   0.00   0.01     0.00  -0.10  -0.09
    10   6     0.02   0.00   0.03    -0.02  -0.03   0.01     0.02  -0.09  -0.04
    11   6    -0.01  -0.01  -0.02     0.02   0.01  -0.02     0.03   0.01  -0.00
    12   1     0.05  -0.01  -0.12    -0.02  -0.00   0.01     0.08  -0.02  -0.18
    13   1    -0.10  -0.01  -0.09    -0.02   0.03   0.02    -0.11  -0.18  -0.17
    14   1     0.09  -0.02  -0.02     0.05  -0.04  -0.00    -0.02  -0.05   0.02
    15   1    -0.01   0.06   0.07    -0.03  -0.05   0.01    -0.01  -0.08  -0.01
    16   1     0.08  -0.03   0.06    -0.04  -0.02   0.01     0.07  -0.08  -0.06
    17   1     0.44  -0.26  -0.21    -0.21   0.19  -0.05    -0.15   0.27  -0.28
    18   1    -0.15  -0.18  -0.01     0.45   0.11  -0.26     0.06   0.40   0.18
    19   1     0.22   0.37  -0.09     0.14  -0.40   0.13    -0.07   0.30  -0.11
    20   1    -0.28  -0.05   0.12     0.29   0.10  -0.16     0.00   0.26   0.11
    21   1    -0.02  -0.05  -0.17    -0.01   0.07   0.22     0.16  -0.00   0.29
    22   1     0.08   0.11   0.17    -0.11  -0.15  -0.19     0.12   0.05   0.23
    23   1    -0.06   0.10   0.32    -0.12   0.10   0.28    -0.07  -0.01   0.04
    24   1     0.02  -0.04  -0.14     0.01  -0.01  -0.14     0.03  -0.00  -0.02
    25   1    -0.04  -0.05  -0.03     0.01  -0.02  -0.02     0.04   0.02  -0.00
    26   1    -0.00  -0.01  -0.06     0.03  -0.03  -0.04     0.03  -0.03   0.00
    27   1     0.01   0.02  -0.03     0.06   0.05  -0.03     0.05   0.04  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    374.3030               447.5729               472.0920
 Red. masses --      2.2013                 2.5776                 2.9677
 Frc consts  --      0.1817                 0.3042                 0.3897
 IR Inten    --      0.3700                 0.0886                 1.9320
 RamAct Fr= 1--      0.3452                 1.2620                 0.3435
  Dep-P Fr= 1--      0.7490                 0.2736                 0.3032
  Dep-U Fr= 1--      0.8565                 0.4297                 0.4653
 Alpha2 Fr= 1--      0.0000                 0.0140                 0.0035
 Beta2  Fr= 1--      0.0493                 0.0904                 0.0266
 AlphaG Fr= 1--     -0.0004                 0.0426                -0.0125
 Gamma2 Fr= 1--      0.2118                -0.1438                 0.2912
 Delta2 Fr= 1--      0.1237                -0.3576                -0.0503
 Raman1 Fr= 1--       1.381                  5.048                  1.374
 ROA1   Fr= 1--      24.294                -25.250                 26.341
 CID1   Fr= 1--      17.595                 -5.002                 19.171
 Raman2 Fr= 1--       0.591                  1.085                  0.320
 ROA2   Fr= 1--       4.094                 -0.591                  7.390
 CID2   Fr= 1--       6.924                 -0.545                 23.120
 Raman3 Fr= 1--       1.183                  2.169                  0.639
 ROA3   Fr= 1--      24.294                -25.250                 26.341
 CID3   Fr= 1--      20.544                -11.641                 41.205
 RC180  Fr= 1--       0.713                 -0.141                 -0.069
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.06  -0.11    -0.06  -0.00   0.04    -0.02   0.00  -0.03
     2   6    -0.05   0.00  -0.13     0.18   0.05  -0.07     0.03  -0.03  -0.03
     3   6    -0.01  -0.02  -0.08     0.09  -0.10  -0.07     0.05  -0.05   0.03
     4   6    -0.01  -0.01   0.03     0.01  -0.04   0.04     0.03   0.17  -0.04
     5   6     0.00  -0.01   0.02     0.00  -0.01   0.02     0.07   0.20  -0.04
     6   6     0.01  -0.00   0.03    -0.07   0.06   0.04     0.14  -0.04   0.04
     7   8     0.04   0.01  -0.00    -0.12  -0.02  -0.05     0.06  -0.14   0.06
     8   6    -0.01   0.16   0.05    -0.02  -0.05   0.04     0.01  -0.02   0.03
     9   6     0.05  -0.05   0.13     0.08   0.15  -0.01    -0.04   0.03   0.01
    10   6     0.04  -0.00   0.02    -0.02  -0.06   0.01    -0.07  -0.08   0.01
    11   6     0.01  -0.01  -0.00     0.02   0.04  -0.02    -0.13  -0.01  -0.02
    12   1    -0.12  -0.30   0.33     0.08   0.21  -0.02    -0.07   0.04   0.04
    13   1     0.31   0.10   0.30     0.02   0.26   0.00    -0.03   0.09   0.04
    14   1     0.07  -0.09  -0.11     0.11  -0.13  -0.08     0.04  -0.12   0.02
    15   1     0.15   0.02  -0.04    -0.03  -0.10  -0.00    -0.13  -0.23  -0.02
    16   1    -0.03  -0.02   0.04    -0.16  -0.08   0.04    -0.17  -0.00  -0.06
    17   1    -0.08  -0.07  -0.01    -0.08   0.03   0.30    -0.05   0.02  -0.03
    18   1    -0.16  -0.11  -0.11    -0.18  -0.03   0.16    -0.02   0.03   0.02
    19   1    -0.15  -0.09  -0.17    -0.26  -0.08  -0.20    -0.06   0.00  -0.08
    20   1    -0.09   0.41   0.00    -0.20  -0.11   0.13    -0.06   0.02   0.05
    21   1     0.08   0.11   0.22    -0.24   0.08  -0.08    -0.03   0.00   0.04
    22   1     0.06   0.13   0.16     0.06  -0.24   0.24     0.04  -0.07   0.11
    23   1    -0.02   0.01   0.12    -0.08   0.02   0.23    -0.16   0.18  -0.11
    24   1     0.03  -0.04  -0.06     0.10  -0.06  -0.14    -0.08   0.21  -0.06
    25   1    -0.01  -0.04  -0.01     0.02  -0.02  -0.03    -0.33  -0.17  -0.02
    26   1     0.02  -0.01  -0.03     0.04  -0.05  -0.06    -0.17   0.41  -0.15
    27   1     0.03   0.01  -0.01     0.10   0.15  -0.06    -0.34  -0.20  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    523.0297               570.5475               596.2488
 Red. masses --      2.8563                 3.0336                 2.6852
 Frc consts  --      0.4604                 0.5818                 0.5625
 IR Inten    --      5.8091                13.4574                 4.6790
 RamAct Fr= 1--      0.8364                 2.9292                 9.0577
  Dep-P Fr= 1--      0.5800                 0.0614                 0.1066
  Dep-U Fr= 1--      0.7342                 0.1156                 0.1926
 Alpha2 Fr= 1--      0.0027                 0.0563                 0.1561
 Beta2  Fr= 1--      0.1023                 0.0564                 0.2907
 AlphaG Fr= 1--     -0.0004                 0.1090                 0.0469
 Gamma2 Fr= 1--      0.3670                -0.0733                -0.0565
 Delta2 Fr= 1--     -0.1323                 0.1648                 0.2889
 Raman1 Fr= 1--       3.346                 11.717                 36.231
 ROA1   Fr= 1--      31.000                 -1.762                  3.821
 CID1   Fr= 1--       9.266                 -0.150                  0.105
 Raman2 Fr= 1--       1.228                  0.677                  3.489
 ROA2   Fr= 1--       9.867                 -3.076                 -3.668
 CID2   Fr= 1--       8.034                 -4.542                 -1.051
 Raman3 Fr= 1--       2.456                  1.355                  6.978
 ROA3   Fr= 1--      31.000                 -1.762                  3.821
 CID3   Fr= 1--      12.621                 -1.300                  0.548
 RC180  Fr= 1--       0.468                 -0.769                 -0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02   0.05    -0.01  -0.01  -0.04     0.04   0.03   0.09
     2   6     0.03  -0.03   0.03     0.07  -0.01  -0.05    -0.04   0.11   0.03
     3   6    -0.08  -0.00  -0.16     0.03  -0.02   0.06    -0.01  -0.08   0.10
     4   6    -0.08   0.05  -0.07    -0.04   0.14   0.03    -0.04  -0.01  -0.06
     5   6    -0.07   0.03  -0.03    -0.13   0.02   0.01    -0.02   0.02  -0.05
     6   6    -0.02  -0.01   0.20    -0.06  -0.11  -0.16    -0.03   0.01   0.10
     7   8     0.17   0.06  -0.04     0.09   0.17   0.03     0.04   0.02  -0.03
     8   6     0.05  -0.07   0.02     0.02  -0.03   0.02    -0.11   0.17  -0.09
     9   6    -0.02   0.01   0.00     0.03   0.05  -0.01     0.10  -0.03  -0.03
    10   6    -0.02   0.03  -0.00    -0.01  -0.07   0.02     0.07  -0.15   0.00
    11   6     0.01  -0.10   0.03     0.01  -0.16   0.04    -0.00  -0.04   0.02
    12   1     0.01   0.09  -0.03     0.03   0.06  -0.01     0.21  -0.06  -0.14
    13   1    -0.06  -0.03  -0.03    -0.01   0.13   0.01    -0.04  -0.05  -0.10
    14   1    -0.19   0.04  -0.12     0.06  -0.11   0.03    -0.08  -0.19   0.10
    15   1     0.04   0.31   0.08    -0.07  -0.26  -0.03     0.07  -0.46  -0.14
    16   1     0.03  -0.17   0.20    -0.11   0.05  -0.10    -0.10   0.08  -0.23
    17   1    -0.04   0.05   0.07    -0.03   0.01   0.03     0.11  -0.03   0.16
    18   1    -0.02   0.06   0.14    -0.04   0.00   0.01     0.02  -0.08  -0.08
    19   1    -0.07   0.03  -0.04    -0.08  -0.04  -0.12     0.12  -0.01   0.20
    20   1     0.09  -0.11   0.01    -0.06  -0.01   0.05    -0.09   0.10  -0.08
    21   1     0.04  -0.07   0.01    -0.05   0.02   0.02    -0.15   0.18  -0.13
    22   1     0.02  -0.06  -0.03     0.06  -0.12   0.12    -0.14   0.19  -0.13
    23   1    -0.18   0.14   0.23    -0.03   0.10  -0.11    -0.14   0.01  -0.04
    24   1    -0.10  -0.06  -0.37    -0.36   0.08   0.13    -0.04   0.01  -0.10
    25   1    -0.07  -0.39  -0.02     0.21   0.23   0.08    -0.04  -0.23  -0.01
    26   1     0.06  -0.17  -0.15    -0.01  -0.37   0.29     0.03  -0.09  -0.09
    27   1     0.14   0.14  -0.12     0.01  -0.29   0.20     0.08   0.12  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    631.4745               745.3666               788.7358
 Red. masses --      2.8526                 2.3388                 1.7675
 Frc consts  --      0.6702                 0.7656                 0.6479
 IR Inten    --      1.3393                 0.9071                 0.4471
 RamAct Fr= 1--      3.5480                 5.4657                 2.4363
  Dep-P Fr= 1--      0.0602                 0.0082                 0.0745
  Dep-U Fr= 1--      0.1135                 0.0163                 0.1387
 Alpha2 Fr= 1--      0.0684                 0.1191                 0.0454
 Beta2  Fr= 1--      0.0671                 0.0149                 0.0563
 AlphaG Fr= 1--     -0.2474                -0.1104                -0.1104
 Gamma2 Fr= 1--     -0.9346                 0.2680                -0.2778
 Delta2 Fr= 1--      0.3093                 0.0360                -0.1355
 Raman1 Fr= 1--      14.192                 21.863                  9.745
 ROA1   Fr= 1--     -79.829                 26.883                -31.001
 CID1   Fr= 1--      -5.625                  1.230                 -3.181
 Raman2 Fr= 1--       0.806                  0.178                  0.676
 ROA2   Fr= 1--     -24.906                  6.145                 -5.582
 CID2   Fr= 1--     -30.911                 34.452                 -8.259
 Raman3 Fr= 1--       1.611                  0.357                  1.352
 ROA3   Fr= 1--     -79.829                 26.883                -31.001
 CID3   Fr= 1--     -49.540                 75.354                -22.935
 RC180  Fr= 1--      -0.773                 -0.967                 -0.723
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.10     0.05   0.04   0.13     0.02   0.01  -0.01
     2   6    -0.02  -0.05  -0.02     0.01  -0.00  -0.01     0.09   0.04  -0.05
     3   6     0.11   0.06   0.15     0.12  -0.05  -0.08    -0.05  -0.02   0.14
     4   6     0.15   0.07  -0.08     0.12   0.07  -0.00    -0.11  -0.06   0.02
     5   6     0.03  -0.06  -0.08     0.05   0.03   0.03    -0.02   0.01  -0.05
     6   6    -0.12   0.04   0.15    -0.05   0.00  -0.03     0.02   0.01   0.02
     7   8    -0.03   0.04  -0.07    -0.04   0.04  -0.01     0.02  -0.01   0.00
     8   6     0.03  -0.05   0.03    -0.06   0.08  -0.05     0.03   0.01  -0.01
     9   6    -0.08   0.01   0.01    -0.09  -0.10  -0.04    -0.04  -0.02  -0.07
    10   6    -0.03   0.03   0.04    -0.07  -0.04  -0.03     0.04   0.05  -0.05
    11   6    -0.02  -0.02   0.03    -0.03  -0.06   0.00     0.01   0.00   0.02
    12   1    -0.14  -0.05   0.09    -0.36  -0.12   0.23    -0.35  -0.05   0.25
    13   1     0.02   0.07   0.07     0.27  -0.18   0.10     0.39  -0.01   0.11
    14   1     0.10  -0.02   0.14     0.17  -0.03  -0.09    -0.06  -0.03   0.14
    15   1    -0.18  -0.25   0.02    -0.26   0.24   0.22    -0.18   0.17   0.15
    16   1    -0.04   0.21  -0.15     0.18  -0.30   0.21     0.46   0.03  -0.05
    17   1    -0.04  -0.03  -0.23     0.05   0.04   0.14     0.01   0.02   0.09
    18   1     0.02   0.01  -0.10     0.06   0.05   0.15    -0.01  -0.01   0.00
    19   1     0.02   0.02  -0.04     0.05   0.05   0.14    -0.04  -0.04  -0.07
    20   1    -0.01   0.02   0.03    -0.07   0.08  -0.04    -0.09  -0.04   0.05
    21   1     0.07  -0.07   0.08    -0.09   0.10  -0.06    -0.17   0.14  -0.06
    22   1     0.07  -0.06   0.09    -0.06   0.07  -0.04     0.07  -0.21   0.14
    23   1     0.27   0.02  -0.18     0.09   0.10   0.09    -0.18  -0.09  -0.17
    24   1    -0.08  -0.04  -0.06     0.00   0.01  -0.07    -0.03   0.06   0.13
    25   1     0.00  -0.32  -0.04     0.04   0.05   0.01    -0.05  -0.12   0.00
    26   1     0.05  -0.27  -0.13    -0.03  -0.17   0.07     0.02   0.06  -0.06
    27   1     0.21   0.34  -0.16     0.01  -0.06   0.05    -0.01   0.03  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    815.1466               867.3137               881.8073
 Red. masses --      3.3642                 1.8419                 1.8032
 Frc consts  --      1.3171                 0.8164                 0.8261
 IR Inten    --      3.7644                 1.4567                 0.5463
 RamAct Fr= 1--     13.8996                10.6267                11.3526
  Dep-P Fr= 1--      0.5502                 0.5811                 0.6349
  Dep-U Fr= 1--      0.7098                 0.7350                 0.7767
 Alpha2 Fr= 1--      0.0531                 0.0336                 0.0237
 Beta2  Fr= 1--      1.6444                 1.3018                 1.4695
 AlphaG Fr= 1--     -0.0468                -0.2923                 0.2855
 Gamma2 Fr= 1--     -0.9601                -7.7862                 6.4649
 Delta2 Fr= 1--     -0.1744                -0.0835                 0.2850
 Raman1 Fr= 1--      55.598                 42.507                 45.411
 ROA1   Fr= 1--     -97.753               -750.149                629.749
 CID1   Fr= 1--      -1.758                -17.648                 13.868
 Raman2 Fr= 1--      19.733                 15.622                 17.634
 ROA2   Fr= 1--     -21.648               -186.201                152.877
 CID2   Fr= 1--      -1.097                -11.919                  8.669
 Raman3 Fr= 1--      39.465                 31.244                 35.269
 ROA3   Fr= 1--     -97.753               -750.149                629.749
 CID3   Fr= 1--      -2.477                -24.010                 17.856
 RC180  Fr= 1--       0.420                  0.470                  0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.04    -0.06  -0.02  -0.02    -0.02  -0.01   0.01
     2   6     0.04  -0.00  -0.03    -0.09  -0.01   0.06    -0.06  -0.03   0.03
     3   6    -0.01   0.04  -0.00     0.05  -0.06   0.04     0.02  -0.02  -0.04
     4   6     0.02   0.11  -0.03     0.01  -0.03  -0.10    -0.04   0.04   0.12
     5   6    -0.18  -0.16   0.01    -0.03   0.02   0.09     0.01  -0.03  -0.12
     6   6     0.01  -0.13   0.04    -0.00  -0.02  -0.01    -0.00  -0.01   0.01
     7   8     0.08  -0.08   0.04     0.01  -0.00   0.01     0.01  -0.01  -0.00
     8   6    -0.00   0.02  -0.02    -0.01  -0.03   0.04    -0.04  -0.02   0.02
     9   6    -0.02  -0.05  -0.02     0.05   0.13  -0.06     0.10   0.10  -0.02
    10   6    -0.03  -0.07   0.03     0.05  -0.02  -0.03    -0.01  -0.07  -0.05
    11   6     0.04   0.28  -0.07     0.01   0.01  -0.03    -0.01   0.03   0.03
    12   1    -0.08  -0.07   0.05    -0.19   0.14   0.19    -0.01   0.19   0.08
    13   1     0.05  -0.02   0.02     0.33   0.18   0.08     0.17   0.11   0.01
    14   1    -0.06  -0.08  -0.01    -0.15  -0.07   0.09     0.17   0.11  -0.06
    15   1    -0.13  -0.12   0.08    -0.16   0.00   0.12    -0.07   0.18   0.10
    16   1    -0.00  -0.06   0.01     0.19  -0.05  -0.01     0.02  -0.31   0.19
    17   1     0.01   0.03   0.09     0.01  -0.08  -0.26     0.00  -0.03  -0.10
    18   1     0.01   0.03   0.08     0.05  -0.01  -0.15     0.03   0.00  -0.03
    19   1    -0.03  -0.01  -0.03     0.14   0.09   0.20     0.06   0.04   0.10
    20   1    -0.04   0.02  -0.00     0.08  -0.04   0.00     0.06   0.05  -0.04
    21   1    -0.07   0.07  -0.03     0.14  -0.14   0.05     0.16  -0.15   0.07
    22   1     0.01  -0.05   0.03    -0.04   0.14  -0.08    -0.05   0.19  -0.10
    23   1     0.21   0.10   0.06    -0.13   0.10   0.31     0.05  -0.10  -0.39
    24   1    -0.51  -0.15  -0.09     0.03  -0.10  -0.37    -0.17   0.13   0.44
    25   1     0.14   0.36  -0.07     0.04   0.18  -0.00    -0.01  -0.15  -0.01
    26   1     0.05   0.23  -0.04    -0.01   0.02   0.07     0.02  -0.02  -0.09
    27   1     0.13   0.34  -0.05    -0.02  -0.10   0.07     0.06   0.19  -0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    916.8626               950.5275               957.6920
 Red. masses --      2.1259                 2.0932                 1.9187
 Frc consts  --      1.0530                 1.1143                 1.0369
 IR Inten    --      0.4332                 4.0102                 5.4447
 RamAct Fr= 1--      9.7580                 1.4400                13.3777
  Dep-P Fr= 1--      0.4220                 0.7008                 0.4478
  Dep-U Fr= 1--      0.5935                 0.8241                 0.6185
 Alpha2 Fr= 1--      0.0667                 0.0012                 0.0828
 Beta2  Fr= 1--      0.9652                 0.1978                 1.3791
 AlphaG Fr= 1--      0.2432                -0.0123                 0.1541
 Gamma2 Fr= 1--      1.6121                 2.3559                 2.8007
 Delta2 Fr= 1--     -1.0398                 0.7218                 0.7775
 Raman1 Fr= 1--      39.032                  5.760                 53.511
 ROA1   Fr= 1--     121.484                249.260                293.751
 CID1   Fr= 1--       3.112                 43.275                  5.490
 Raman2 Fr= 1--      11.583                  2.373                 16.550
 ROA2   Fr= 1--      47.008                 50.766                 60.997
 CID2   Fr= 1--       4.058                 21.391                  3.686
 Raman3 Fr= 1--      23.165                  4.747                 33.099
 ROA3   Fr= 1--     121.484                249.260                293.751
 CID3   Fr= 1--       5.244                 52.513                  8.875
 RC180  Fr= 1--       0.187                  0.648                  0.237
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.14    -0.02   0.07   0.00    -0.01   0.07   0.08
     2   6    -0.07  -0.06  -0.07    -0.03   0.07  -0.01    -0.03   0.01  -0.09
     3   6     0.06  -0.09  -0.07     0.07  -0.05  -0.00    -0.10   0.12   0.00
     4   6    -0.05  -0.01   0.03    -0.04  -0.02   0.00     0.03   0.01  -0.01
     5   6    -0.02  -0.00  -0.03    -0.02   0.02  -0.01     0.01  -0.02   0.01
     6   6    -0.00  -0.01   0.00    -0.00  -0.02   0.00     0.02   0.04  -0.01
     7   8     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.02   0.01  -0.01
     8   6    -0.01  -0.05  -0.02     0.02  -0.07   0.01     0.04  -0.09  -0.04
     9   6    -0.11   0.06  -0.01     0.14  -0.07  -0.06     0.01   0.02  -0.05
    10   6     0.11   0.12   0.02    -0.14   0.15   0.05    -0.00  -0.12   0.02
    11   6     0.00   0.02   0.00     0.00   0.01  -0.00     0.02  -0.03   0.01
    12   1    -0.10  -0.23   0.00     0.14  -0.16  -0.05    -0.05  -0.20   0.03
    13   1    -0.08   0.31   0.08     0.28  -0.39  -0.11     0.06   0.32   0.07
    14   1     0.24  -0.35  -0.16     0.15  -0.13  -0.03    -0.17   0.15   0.03
    15   1     0.15  -0.19  -0.15    -0.24  -0.02   0.05     0.04  -0.06   0.02
    16   1     0.03   0.38  -0.25    -0.33   0.16   0.06    -0.05  -0.16   0.06
    17   1     0.00   0.03  -0.03     0.15  -0.04   0.21     0.16  -0.04   0.17
    18   1     0.11   0.11   0.21    -0.08  -0.16  -0.31    -0.00  -0.10  -0.21
    19   1     0.09   0.11   0.18     0.09  -0.07   0.19     0.16   0.00   0.32
    20   1    -0.07   0.15  -0.05    -0.03   0.11  -0.02    -0.19   0.28  -0.06
    21   1     0.12  -0.12   0.12     0.13  -0.12   0.15     0.09  -0.09   0.22
    22   1     0.06   0.00   0.06     0.10  -0.04   0.11     0.22  -0.21   0.26
    23   1    -0.10  -0.04  -0.12    -0.16  -0.02  -0.06     0.20   0.01   0.10
    24   1    -0.06   0.02   0.05    -0.08   0.01  -0.05     0.12  -0.03   0.04
    25   1     0.00  -0.01  -0.00     0.01   0.03  -0.00    -0.07  -0.08   0.02
    26   1     0.01   0.01  -0.02     0.00  -0.00   0.00     0.00   0.09  -0.02
    27   1     0.01   0.04  -0.02     0.01   0.02  -0.00    -0.06  -0.10   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    970.5649              1001.6269              1004.0735
 Red. masses --      1.5809                 1.2805                 1.7274
 Frc consts  --      0.8774                 0.7569                 1.0260
 IR Inten    --      2.1897                10.8812                 0.6330
 RamAct Fr= 1--     15.1317                26.4904                 5.0091
  Dep-P Fr= 1--      0.2760                 0.2994                 0.5063
  Dep-U Fr= 1--      0.4326                 0.4608                 0.6723
 Alpha2 Fr= 1--      0.1665                 0.2722                 0.0240
 Beta2  Fr= 1--      1.0910                 2.0344                 0.5612
 AlphaG Fr= 1--      0.0475                 0.4587                -0.0591
 Gamma2 Fr= 1--     -0.5966                 5.9822                 0.1035
 Delta2 Fr= 1--     -0.7495                 0.4942                 0.0868
 Raman1 Fr= 1--      60.527                105.961                 20.036
 ROA1   Fr= 1--     -81.252                590.110                 12.712
 CID1   Fr= 1--      -1.342                  5.569                  0.634
 Raman2 Fr= 1--      13.093                 24.413                  6.735
 ROA2   Fr= 1--      -8.322                139.620                  1.789
 CID2   Fr= 1--      -0.636                  5.719                  0.266
 Raman3 Fr= 1--      26.185                 48.825                 13.470
 ROA3   Fr= 1--     -81.252                590.110                 12.712
 CID3   Fr= 1--      -3.103                 12.086                  0.944
 RC180  Fr= 1--      -0.135                 -0.078                  0.345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08   0.04     0.07   0.03  -0.02     0.04  -0.05   0.04
     2   6     0.01  -0.03  -0.02     0.00  -0.01  -0.01     0.04  -0.12  -0.02
     3   6    -0.03   0.07  -0.01    -0.02   0.03   0.00     0.02   0.01   0.09
     4   6    -0.02  -0.01   0.00     0.01   0.01  -0.01    -0.02  -0.02  -0.02
     5   6    -0.01  -0.02  -0.00    -0.03  -0.04   0.00    -0.02   0.02   0.03
     6   6     0.02   0.03  -0.01     0.01   0.03  -0.00    -0.00  -0.01   0.00
     7   8    -0.01   0.01  -0.01    -0.02   0.02  -0.01     0.01  -0.00   0.00
     8   6    -0.00   0.04   0.02    -0.07  -0.04   0.02    -0.07   0.01  -0.12
     9   6     0.09  -0.01  -0.10     0.00   0.00  -0.00     0.07   0.02   0.04
    10   6    -0.07   0.02   0.08     0.01  -0.01   0.01    -0.05   0.04  -0.03
    11   6     0.03  -0.03   0.02     0.05  -0.03   0.02     0.00   0.00  -0.01
    12   1    -0.01  -0.35   0.04    -0.07   0.22   0.05     0.13   0.23  -0.04
    13   1     0.31   0.17   0.05     0.04  -0.11  -0.02    -0.06  -0.05  -0.04
    14   1    -0.05  -0.04  -0.02     0.01  -0.27  -0.05     0.00   0.23   0.13
    15   1    -0.13  -0.15   0.04    -0.18  -0.12   0.09    -0.03   0.18   0.02
    16   1    -0.28   0.08   0.02     0.17   0.10  -0.11    -0.04  -0.05   0.07
    17   1    -0.16   0.04  -0.32     0.01   0.09   0.34    -0.08   0.03  -0.12
    18   1     0.16   0.23   0.39    -0.12  -0.05   0.09     0.09   0.13   0.29
    19   1    -0.04   0.16  -0.11    -0.17  -0.15  -0.28    -0.05   0.05  -0.11
    20   1     0.10  -0.19   0.05     0.11   0.11  -0.08    -0.29   0.51  -0.19
    21   1    -0.07   0.07  -0.15     0.26  -0.25   0.11     0.09  -0.06   0.21
    22   1    -0.10   0.04  -0.12    -0.08   0.29  -0.14     0.13   0.02   0.16
    23   1     0.08  -0.02   0.04     0.10   0.03   0.12    -0.08  -0.04  -0.14
    24   1     0.05  -0.01   0.04    -0.00  -0.02   0.07     0.02  -0.07  -0.29
    25   1    -0.09  -0.10   0.02    -0.13  -0.12   0.03     0.00   0.03  -0.00
    26   1     0.01   0.14  -0.04     0.02   0.24  -0.06     0.00   0.01   0.01
    27   1    -0.08  -0.10  -0.01    -0.12  -0.15  -0.01    -0.01  -0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1018.2532              1024.5104              1050.6240
 Red. masses --      1.4460                 1.2882                 1.8829
 Frc consts  --      0.8834                 0.7966                 1.2245
 IR Inten    --     18.6180                20.8321                 1.0431
 RamAct Fr= 1--      7.5886                 5.3905                 0.8395
  Dep-P Fr= 1--      0.5657                 0.2529                 0.5892
  Dep-U Fr= 1--      0.7226                 0.4037                 0.7415
 Alpha2 Fr= 1--      0.0265                 0.0634                 0.0025
 Beta2  Fr= 1--      0.9140                 0.3627                 0.1037
 AlphaG Fr= 1--     -0.3887                 0.6962                 0.0047
 Gamma2 Fr= 1--     -2.5006                 3.6200                 0.1591
 Delta2 Fr= 1--      0.8940                -0.1991                -0.1341
 Raman1 Fr= 1--      30.354                 21.562                  3.358
 ROA1   Fr= 1--    -211.449                341.150                 10.979
 CID1   Fr= 1--      -6.966                 15.822                  3.270
 Raman2 Fr= 1--      10.968                  4.353                  1.245
 ROA2   Fr= 1--     -67.166                 88.472                  4.891
 CID2   Fr= 1--      -6.124                 20.326                  3.929
 Raman3 Fr= 1--      21.935                  8.706                  2.490
 ROA3   Fr= 1--    -211.449                341.150                 10.979
 CID3   Fr= 1--      -9.640                 39.188                  4.410
 RC180  Fr= 1--       0.445                 -0.193                  0.483
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.01    -0.04  -0.02   0.01     0.00   0.00  -0.00
     2   6    -0.00   0.02   0.02     0.01  -0.02   0.02    -0.00   0.00  -0.00
     3   6     0.07  -0.02  -0.02     0.05  -0.03   0.00     0.00   0.01   0.00
     4   6    -0.02   0.02   0.04     0.02  -0.00  -0.05    -0.01   0.01   0.04
     5   6    -0.09  -0.04   0.03    -0.03  -0.05  -0.05     0.01  -0.02  -0.07
     6   6     0.01   0.02  -0.02    -0.00   0.02   0.02    -0.05   0.06   0.20
     7   8    -0.03   0.04  -0.01    -0.01   0.02  -0.02     0.01  -0.01  -0.04
     8   6     0.03   0.02   0.00     0.01   0.02  -0.04    -0.00  -0.00   0.01
     9   6    -0.03  -0.01   0.03    -0.01   0.00   0.04    -0.00  -0.00  -0.00
    10   6     0.01  -0.01  -0.01     0.00   0.03  -0.02    -0.00  -0.01   0.00
    11   6     0.10  -0.02   0.04     0.06  -0.02   0.01     0.03  -0.04  -0.15
    12   1     0.00   0.02  -0.01     0.05   0.08  -0.03    -0.00  -0.02   0.00
    13   1    -0.08  -0.04  -0.00    -0.07  -0.10  -0.02    -0.00   0.03   0.01
    14   1     0.12   0.08  -0.02    -0.02   0.03   0.03     0.04   0.03  -0.01
    15   1     0.03   0.02  -0.01     0.00   0.05  -0.01     0.01   0.00  -0.00
    16   1    -0.01  -0.06   0.03    -0.03  -0.02   0.03     0.00  -0.01   0.01
    17   1     0.03  -0.05  -0.08    -0.01  -0.05  -0.16     0.00   0.01   0.02
    18   1     0.01  -0.03  -0.13     0.05   0.02  -0.05    -0.01  -0.00   0.00
    19   1     0.07   0.02   0.13     0.08   0.07   0.13    -0.01  -0.01  -0.01
    20   1    -0.01  -0.09   0.05    -0.11   0.07  -0.01     0.02  -0.02   0.01
    21   1    -0.10   0.10  -0.06    -0.09   0.10  -0.00     0.01  -0.01  -0.01
    22   1     0.00  -0.08   0.02     0.06  -0.11   0.09    -0.01   0.01  -0.01
    23   1     0.12  -0.12  -0.43    -0.12   0.16   0.53     0.05  -0.07  -0.25
    24   1    -0.02  -0.17  -0.44    -0.21   0.13   0.55    -0.01   0.01   0.02
    25   1    -0.22  -0.23   0.05    -0.13  -0.07   0.03     0.06   0.61  -0.00
    26   1     0.06   0.44  -0.13     0.02   0.27  -0.04    -0.07   0.08   0.31
    27   1    -0.20  -0.21  -0.05    -0.13  -0.17   0.00    -0.12  -0.52   0.28
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1089.1275              1158.8325              1174.2278
 Red. masses --      1.3470                 2.1981                 1.6773
 Frc consts  --      0.9414                 1.7392                 1.3626
 IR Inten    --      9.7608                 2.3320                10.9681
 RamAct Fr= 1--      9.5946                11.7910                67.5086
  Dep-P Fr= 1--      0.3302                 0.1694                 0.3529
  Dep-U Fr= 1--      0.4964                 0.2897                 0.5217
 Alpha2 Fr= 1--      0.0897                 0.1735                 0.5870
 Beta2  Fr= 1--      0.7938                 0.5694                 5.8704
 AlphaG Fr= 1--     -0.1550                 0.1162                 0.8835
 Gamma2 Fr= 1--      0.2085                -1.4988                 7.5483
 Delta2 Fr= 1--      1.2703                -0.6578                 0.0880
 Raman1 Fr= 1--      38.378                 47.164                270.035
 ROA1   Fr= 1--      60.663               -164.939                727.455
 CID1   Fr= 1--       1.581                 -3.497                  2.694
 Raman2 Fr= 1--       9.526                  6.833                 70.445
 ROA2   Fr= 1--      -5.160                -30.710                180.456
 CID2   Fr= 1--      -0.542                 -4.495                  2.562
 Raman3 Fr= 1--      19.052                 13.665                140.889
 ROA3   Fr= 1--      60.663               -164.939                727.455
 CID3   Fr= 1--       3.184                -12.070                  5.163
 RC180  Fr= 1--      -0.007                 -0.421                  0.043
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03  -0.02    -0.04  -0.01   0.00    -0.06  -0.01   0.05
     2   6     0.00   0.01  -0.02     0.06  -0.01   0.02     0.06   0.03  -0.12
     3   6     0.09   0.01   0.06     0.11   0.18  -0.10    -0.05   0.04   0.07
     4   6    -0.02  -0.05  -0.05    -0.11  -0.11  -0.02     0.01  -0.02  -0.03
     5   6    -0.03   0.02  -0.00    -0.03   0.05  -0.02    -0.01   0.01   0.01
     6   6    -0.01  -0.02   0.00     0.02   0.01   0.00     0.00   0.00   0.00
     7   8     0.01   0.00   0.00     0.02  -0.02   0.01    -0.00   0.00  -0.00
     8   6    -0.03  -0.01   0.05    -0.01   0.01  -0.01    -0.02  -0.00   0.06
     9   6    -0.04  -0.02  -0.03    -0.03  -0.04   0.01     0.06  -0.05   0.07
    10   6    -0.01  -0.02  -0.02     0.03  -0.07   0.10    -0.09  -0.01  -0.06
    11   6     0.02   0.01   0.00    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    12   1     0.02  -0.38  -0.05    -0.16   0.36   0.09     0.17   0.10  -0.07
    13   1    -0.09   0.35   0.08    -0.03  -0.12  -0.01    -0.22   0.18   0.02
    14   1     0.23   0.47   0.09     0.37   0.31  -0.15     0.44  -0.39  -0.14
    15   1     0.19   0.13  -0.08    -0.30  -0.42   0.18     0.02   0.25  -0.02
    16   1    -0.14  -0.16   0.13     0.14   0.13  -0.12     0.36  -0.02  -0.08
    17   1     0.02   0.05   0.20     0.02  -0.06  -0.12     0.03  -0.07  -0.18
    18   1    -0.07  -0.04   0.01     0.04   0.00  -0.09     0.13   0.06  -0.05
    19   1    -0.07  -0.08  -0.12     0.06   0.05   0.11     0.13   0.14   0.23
    20   1     0.13  -0.07  -0.00    -0.01   0.05  -0.03     0.17  -0.12   0.02
    21   1     0.12  -0.12  -0.00     0.00   0.00   0.01     0.08  -0.08  -0.07
    22   1    -0.09   0.18  -0.12     0.00   0.03  -0.00    -0.08   0.11  -0.09
    23   1    -0.27   0.02   0.10    -0.15  -0.08   0.06    -0.04   0.01   0.04
    24   1    -0.12   0.04   0.01     0.08   0.05   0.02    -0.05  -0.00  -0.07
    25   1    -0.03  -0.01   0.01     0.04   0.03  -0.01     0.00   0.01  -0.00
    26   1     0.01   0.07  -0.02    -0.01  -0.11   0.03    -0.00  -0.01   0.01
    27   1    -0.02  -0.01  -0.01     0.04   0.04   0.01     0.00  -0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1186.6688              1225.7950              1245.4584
 Red. masses --      1.7957                 1.5060                 1.6503
 Frc consts  --      1.4898                 1.3333                 1.5083
 IR Inten    --      7.5401                 2.8311                13.5977
 RamAct Fr= 1--      1.4704                13.4366                15.1642
  Dep-P Fr= 1--      0.7459                 0.4835                 0.3020
  Dep-U Fr= 1--      0.8544                 0.6518                 0.4639
 Alpha2 Fr= 1--      0.0001                 0.0715                 0.1546
 Beta2  Fr= 1--      0.2094                 1.4597                 1.1725
 AlphaG Fr= 1--     -0.0070                 0.1070                 0.1763
 Gamma2 Fr= 1--      0.1714                -1.3878                 1.0355
 Delta2 Fr= 1--      0.0979                -0.2257                -2.4061
 Raman1 Fr= 1--       5.882                 53.746                 60.657
 ROA1   Fr= 1--      19.586               -140.450                 22.412
 CID1   Fr= 1--       3.330                 -2.613                  0.369
 Raman2 Fr= 1--       2.513                 17.517                 14.070
 ROA2   Fr= 1--       3.330                -31.502                 44.100
 CID2   Fr= 1--       1.325                 -1.798                  3.134
 Raman3 Fr= 1--       5.026                 35.033                 28.140
 ROA3   Fr= 1--      19.586               -140.450                 22.412
 CID3   Fr= 1--       3.897                 -4.009                  0.796
 RC180  Fr= 1--       0.709                  0.304                 -0.072
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.01  -0.01     0.03   0.04  -0.02     0.02  -0.07   0.00
     2   6     0.19  -0.01   0.01    -0.10  -0.09   0.04    -0.03   0.17   0.02
     3   6     0.01  -0.07  -0.05     0.03  -0.02  -0.04     0.01  -0.02  -0.05
     4   6     0.00   0.04   0.05     0.00   0.00   0.01     0.01  -0.00   0.01
     5   6     0.01  -0.02  -0.01     0.01  -0.00  -0.00     0.02   0.01  -0.00
     6   6     0.01   0.00  -0.01    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     8   6    -0.09  -0.00   0.01     0.05   0.04  -0.01     0.00  -0.06  -0.02
     9   6    -0.01  -0.06  -0.03     0.09  -0.05   0.02    -0.01   0.06   0.05
    10   6    -0.04   0.04   0.05    -0.06   0.03  -0.01    -0.06  -0.06   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    12   1    -0.03  -0.06  -0.01     0.15   0.02  -0.04     0.20  -0.47  -0.10
    13   1    -0.04   0.25   0.07    -0.22   0.56   0.10    -0.03  -0.23  -0.06
    14   1    -0.57   0.24   0.16    -0.13   0.11   0.02    -0.04   0.24   0.01
    15   1     0.05  -0.03  -0.05    -0.35  -0.04   0.15    -0.11  -0.05   0.06
    16   1     0.16   0.21  -0.14     0.40   0.17  -0.18     0.52   0.11  -0.20
    17   1     0.08  -0.10  -0.13     0.03   0.04   0.20    -0.15   0.05  -0.15
    18   1     0.06  -0.02  -0.21    -0.11  -0.06   0.00     0.07   0.08   0.17
    19   1     0.11   0.05   0.21    -0.04  -0.11  -0.05    -0.05   0.11  -0.15
    20   1     0.09   0.14  -0.10    -0.09  -0.08   0.07    -0.03   0.07  -0.03
    21   1     0.14  -0.15   0.03    -0.15   0.16  -0.07     0.10  -0.10   0.16
    22   1    -0.08   0.31  -0.13    -0.01  -0.14   0.00     0.11  -0.03   0.11
    23   1     0.06  -0.01  -0.07    -0.02   0.00  -0.00    -0.04   0.00  -0.01
    24   1     0.03  -0.01   0.05    -0.04   0.00   0.00    -0.09   0.02  -0.02
    25   1     0.00  -0.01  -0.00    -0.01  -0.01   0.00    -0.02   0.00   0.01
    26   1     0.00  -0.01  -0.00     0.00   0.01  -0.00     0.01   0.06  -0.02
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1262.9106              1281.6533              1283.9519
 Red. masses --      1.7251                 2.0167                 1.9619
 Frc consts  --      1.6211                 1.9518                 1.9056
 IR Inten    --     51.4163                47.6954                58.3292
 RamAct Fr= 1--     16.1430                11.4243                14.2760
  Dep-P Fr= 1--      0.2948                 0.4325                 0.2181
  Dep-U Fr= 1--      0.4554                 0.6039                 0.3581
 Alpha2 Fr= 1--      0.1681                 0.0750                 0.1847
 Beta2  Fr= 1--      1.2253                 1.1498                 0.8521
 AlphaG Fr= 1--      0.0004                 0.0196                 0.0504
 Gamma2 Fr= 1--      3.7557                 0.8872                 0.9638
 Delta2 Fr= 1--      2.4123                -0.1923                 0.1982
 Raman1 Fr= 1--      64.572                 45.697                 57.104
 ROA1   Fr= 1--     437.737                 79.013                 98.868
 CID1   Fr= 1--       6.779                  1.729                  1.731
 Raman2 Fr= 1--      14.703                 13.797                 10.225
 ROA2   Fr= 1--      70.837                 22.831                 21.547
 CID2   Fr= 1--       4.818                  1.655                  2.107
 Raman3 Fr= 1--      29.407                 27.595                 20.449
 ROA3   Fr= 1--     437.737                 79.013                 98.868
 CID3   Fr= 1--      14.886                  2.863                  4.835
 RC180  Fr= 1--      -0.089                  0.208                 -0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.02    -0.01   0.05   0.03     0.01   0.04   0.00
     2   6    -0.03   0.03   0.06     0.01  -0.14  -0.12    -0.03  -0.10  -0.02
     3   6    -0.02  -0.01  -0.01    -0.01  -0.00   0.01     0.03  -0.03   0.01
     4   6     0.02   0.01  -0.01    -0.02   0.01  -0.02    -0.01   0.02  -0.02
     5   6     0.04   0.04  -0.00     0.03   0.04  -0.00    -0.08  -0.05  -0.00
     6   6    -0.12  -0.12   0.01    -0.12  -0.12   0.01     0.12   0.13  -0.01
     7   8     0.01   0.02  -0.00     0.03   0.01   0.00    -0.01  -0.02   0.00
     8   6     0.01  -0.01  -0.02    -0.00   0.05   0.04     0.01   0.03   0.01
     9   6     0.03  -0.05  -0.08    -0.01   0.11   0.05     0.01   0.09  -0.02
    10   6    -0.07  -0.03   0.09    -0.00  -0.01   0.00    -0.10  -0.05   0.08
    11   6     0.05   0.01   0.01     0.04   0.01   0.01    -0.05  -0.01  -0.01
    12   1    -0.23   0.39   0.13     0.16  -0.20  -0.09    -0.00  -0.06   0.01
    13   1     0.12   0.13   0.02     0.10  -0.42  -0.09     0.21  -0.31  -0.08
    14   1     0.19   0.01  -0.06    -0.08   0.23   0.06     0.13   0.19   0.01
    15   1     0.57   0.13  -0.27    -0.15  -0.03   0.09     0.50   0.17  -0.23
    16   1     0.15   0.17  -0.12     0.10   0.06  -0.07     0.34   0.20  -0.20
    17   1    -0.04   0.02  -0.01     0.12  -0.04   0.10     0.06  -0.00   0.10
    18   1    -0.02  -0.00   0.03    -0.02  -0.03  -0.07    -0.06  -0.04  -0.04
    19   1    -0.02   0.00  -0.06     0.05  -0.07   0.14    -0.00  -0.08   0.03
    20   1    -0.06   0.04  -0.01     0.09  -0.14   0.05    -0.01  -0.06   0.04
    21   1    -0.04   0.03   0.05    -0.01   0.02  -0.16    -0.05   0.06  -0.08
    22   1     0.05  -0.03   0.05    -0.13  -0.02  -0.12    -0.05  -0.05  -0.04
    23   1    -0.06   0.02   0.00     0.07   0.01   0.02     0.12   0.02   0.06
    24   1     0.20   0.03   0.05     0.51   0.00   0.10    -0.09  -0.05   0.00
    25   1    -0.06   0.07   0.03    -0.04   0.11   0.03     0.06  -0.10  -0.04
    26   1     0.02   0.25  -0.07     0.01   0.26  -0.07    -0.02  -0.26   0.07
    27   1    -0.03   0.04  -0.09    -0.01   0.07  -0.10     0.03  -0.06   0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1290.2044              1315.3458              1341.1503
 Red. masses --      1.5099                 1.9302                 1.3610
 Frc consts  --      1.4809                 1.9676                 1.4423
 IR Inten    --      3.2233                 6.8101                 0.3055
 RamAct Fr= 1--     23.0611                21.5082                14.1010
  Dep-P Fr= 1--      0.1864                 0.2377                 0.2610
  Dep-U Fr= 1--      0.3142                 0.3841                 0.4140
 Alpha2 Fr= 1--      0.3246                 0.2638                 0.1620
 Beta2  Fr= 1--      1.2077                 1.3768                 0.9729
 AlphaG Fr= 1--      0.0071                 0.1654                -0.0875
 Gamma2 Fr= 1--     -0.8064                 6.3014                -1.3785
 Delta2 Fr= 1--     -0.0907                 3.4643                -1.8423
 Raman1 Fr= 1--      92.244                 86.033                 56.404
 ROA1   Fr= 1--     -80.315                715.793               -191.291
 CID1   Fr= 1--      -0.871                  8.320                 -3.391
 Raman2 Fr= 1--      14.492                 16.522                 11.675
 ROA2   Fr= 1--     -18.628                123.519                -18.346
 CID2   Fr= 1--      -1.285                  7.476                 -1.571
 Raman3 Fr= 1--      28.984                 33.044                 23.351
 ROA3   Fr= 1--     -80.315                715.793               -191.291
 CID3   Fr= 1--      -2.771                 21.662                 -8.192
 RC180  Fr= 1--      -0.372                 -0.232                 -0.172
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.01    -0.02   0.04  -0.03     0.01  -0.01   0.01
     2   6    -0.00   0.05   0.06     0.10  -0.10   0.19    -0.03   0.02  -0.04
     3   6     0.09  -0.01   0.02    -0.03   0.07  -0.01     0.03  -0.05   0.01
     4   6    -0.09   0.06  -0.03    -0.00  -0.06   0.01    -0.03  -0.08   0.02
     5   6    -0.10  -0.02  -0.02     0.02   0.06  -0.01    -0.03   0.12  -0.04
     6   6     0.02   0.02  -0.00    -0.03  -0.03   0.00    -0.00  -0.01   0.00
     7   8     0.03  -0.03   0.01     0.00   0.01  -0.00     0.01   0.00   0.00
     8   6    -0.00  -0.02  -0.02    -0.02   0.02  -0.05     0.00   0.00   0.01
     9   6    -0.00  -0.02   0.01    -0.03   0.07  -0.02     0.01  -0.02   0.00
    10   6    -0.03   0.00  -0.04    -0.02  -0.02  -0.02     0.00   0.01  -0.00
    11   6    -0.02  -0.01  -0.00     0.01  -0.00   0.00    -0.01  -0.02   0.00
    12   1     0.03  -0.13  -0.02     0.12  -0.54  -0.09    -0.03   0.12   0.02
    13   1    -0.09   0.15   0.03     0.09   0.06   0.03    -0.03   0.01  -0.00
    14   1     0.03  -0.21   0.01     0.26  -0.45  -0.16    -0.09   0.09   0.07
    15   1     0.00   0.09  -0.02     0.02   0.08  -0.01     0.03   0.02  -0.02
    16   1     0.01  -0.09   0.05     0.07  -0.03  -0.02    -0.03  -0.00   0.02
    17   1    -0.04   0.02  -0.03     0.09  -0.05  -0.06    -0.02   0.02   0.02
    18   1    -0.00  -0.00   0.01    -0.09  -0.12  -0.22     0.01   0.02   0.06
    19   1    -0.03   0.01  -0.06    -0.06  -0.16  -0.03     0.02   0.02   0.01
    20   1    -0.03   0.05  -0.02    -0.11   0.15  -0.05     0.03  -0.05   0.01
    21   1     0.01  -0.01   0.07    -0.08   0.08   0.05     0.04  -0.03  -0.01
    22   1     0.05   0.01   0.05     0.03   0.08   0.01    -0.01  -0.04   0.01
    23   1     0.32   0.02   0.07     0.19  -0.08   0.07     0.83  -0.18   0.25
    24   1     0.81  -0.09   0.22    -0.21   0.08  -0.08    -0.28   0.15  -0.10
    25   1     0.05   0.02  -0.01    -0.01   0.04   0.01     0.03   0.06   0.01
    26   1    -0.02  -0.03   0.00     0.00   0.07  -0.02    -0.02   0.09  -0.03
    27   1     0.04   0.03   0.02     0.00   0.03  -0.03     0.04   0.05  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1379.0891              1388.7005              1406.1377
 Red. masses --      1.6398                 1.3624                 1.2864
 Frc consts  --      1.8375                 1.5480                 1.4986
 IR Inten    --      0.0813                45.4100                 9.4094
 RamAct Fr= 1--     29.4702                 1.5042                 1.6354
  Dep-P Fr= 1--      0.3428                 0.6348                 0.3357
  Dep-U Fr= 1--      0.5106                 0.7766                 0.5027
 Alpha2 Fr= 1--      0.2648                 0.0031                 0.0150
 Beta2  Fr= 1--      2.5077                 0.1947                 0.1370
 AlphaG Fr= 1--      0.1372                 0.0029                 0.0001
 Gamma2 Fr= 1--      2.5264                 0.4947                 0.1440
 Delta2 Fr= 1--     -0.1571                -0.0946                 0.1785
 Raman1 Fr= 1--     117.881                  6.017                  6.542
 ROA1   Fr= 1--     237.509                 44.467                 19.530
 CID1   Fr= 1--       2.015                  7.390                  2.986
 Raman2 Fr= 1--      30.093                  2.336                  1.644
 ROA2   Fr= 1--      61.890                 12.631                  2.027
 CID2   Fr= 1--       2.057                  5.406                  1.233
 Raman3 Fr= 1--      60.186                  4.673                  3.289
 ROA3   Fr= 1--     237.509                 44.467                 19.530
 CID3   Fr= 1--       3.946                  9.516                  5.939
 RC180  Fr= 1--       0.021                  0.553                  0.005
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.03   0.02   0.08
     2   6     0.03   0.01   0.04    -0.00   0.00   0.00    -0.02   0.01  -0.04
     3   6    -0.16  -0.13   0.01    -0.01  -0.00  -0.00     0.02   0.00   0.00
     4   6     0.04   0.05  -0.04     0.01   0.01  -0.00    -0.00  -0.01   0.00
     5   6    -0.02  -0.01   0.00    -0.01  -0.03   0.01     0.00   0.00  -0.00
     6   6     0.01   0.01   0.00     0.05   0.05  -0.00    -0.00  -0.00   0.00
     7   8    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.01  -0.01     0.00  -0.00   0.00     0.06  -0.09   0.05
     9   6     0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.01
    10   6     0.05   0.04   0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.04  -0.15   0.03     0.00   0.00  -0.00
    12   1     0.04   0.01  -0.05    -0.00   0.00   0.00    -0.00   0.04   0.01
    13   1     0.08   0.10   0.06     0.01   0.00   0.00    -0.02  -0.03  -0.01
    14   1     0.66   0.50  -0.13     0.04   0.03  -0.01    -0.08  -0.00   0.03
    15   1    -0.23  -0.11   0.14    -0.00  -0.01   0.00     0.02  -0.02  -0.02
    16   1    -0.06   0.11  -0.05     0.00   0.01  -0.00     0.02  -0.03   0.03
    17   1     0.03  -0.03  -0.07     0.00  -0.00  -0.00    -0.04   0.03  -0.34
    18   1     0.02  -0.02  -0.07     0.01   0.00  -0.00    -0.02  -0.21  -0.27
    19   1    -0.04  -0.02  -0.03    -0.01  -0.00  -0.01    -0.23  -0.04  -0.26
    20   1    -0.02   0.06  -0.02    -0.01   0.01  -0.00    -0.18   0.39  -0.01
    21   1    -0.06   0.03   0.02    -0.01   0.01   0.00    -0.37   0.20  -0.19
    22   1     0.02   0.08  -0.01     0.00   0.01  -0.01    -0.10   0.31  -0.33
    23   1     0.22   0.05   0.08    -0.10   0.03  -0.03     0.01  -0.01   0.01
    24   1     0.13  -0.03   0.02    -0.06  -0.03  -0.01    -0.01   0.01  -0.00
    25   1     0.02  -0.05  -0.02     0.15   0.56   0.13    -0.00  -0.01  -0.00
    26   1    -0.00  -0.03   0.01    -0.09   0.45  -0.15     0.00  -0.00   0.00
    27   1     0.00  -0.03   0.05     0.26   0.44  -0.31    -0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.3403              1471.3785              1480.0974
 Red. masses --      1.2290                 1.0563                 1.0474
 Frc consts  --      1.4669                 1.3473                 1.3518
 IR Inten    --      3.2445                10.1373                10.5731
 RamAct Fr= 1--      1.0741                 3.2985                 3.9756
  Dep-P Fr= 1--      0.7393                 0.7487                 0.7497
  Dep-U Fr= 1--      0.8501                 0.8563                 0.8569
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1522                 0.4707                 0.5678
 AlphaG Fr= 1--     -0.0025                 0.0014                -0.0015
 Gamma2 Fr= 1--      0.2012                 0.2041                -0.4858
 Delta2 Fr= 1--     -0.0778                 0.0762                -0.0420
 Raman1 Fr= 1--       4.296                 13.194                 15.902
 ROA1   Fr= 1--      16.829                 22.029                -47.981
 CID1   Fr= 1--       3.917                  1.670                 -3.017
 Raman2 Fr= 1--       1.826                  5.649                  6.814
 ROA2   Fr= 1--       5.452                  4.287                -11.324
 CID2   Fr= 1--       2.985                  0.759                 -1.662
 Raman3 Fr= 1--       3.653                 11.298                 13.627
 ROA3   Fr= 1--      16.829                 22.029                -47.981
 CID3   Fr= 1--       4.607                  1.950                 -3.521
 RC180  Fr= 1--       0.700                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.10     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.01   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.02   0.01     0.00  -0.00  -0.02
     7   8     0.00  -0.00   0.00    -0.02   0.02  -0.01    -0.00   0.00   0.00
     8   6     0.04  -0.07   0.03     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00   0.00   0.00    -0.05  -0.00  -0.01     0.01  -0.02  -0.05
    12   1     0.05  -0.02  -0.05    -0.00  -0.00   0.00    -0.02  -0.01   0.02
    13   1     0.06  -0.02   0.02    -0.00  -0.00  -0.00    -0.02  -0.00  -0.01
    14   1     0.03  -0.02  -0.01    -0.01  -0.01  -0.00    -0.01  -0.00   0.00
    15   1    -0.01   0.03   0.02     0.00  -0.00  -0.00    -0.00   0.02   0.01
    16   1    -0.02   0.02  -0.02     0.00  -0.00   0.00    -0.01   0.01  -0.01
    17   1    -0.01  -0.00   0.45    -0.00   0.00  -0.00     0.03  -0.03  -0.00
    18   1     0.03   0.26   0.35    -0.01  -0.00   0.01     0.02   0.02   0.01
    19   1     0.31   0.12   0.32     0.01  -0.01   0.01    -0.01  -0.02  -0.01
    20   1    -0.14   0.30  -0.02     0.00   0.01  -0.00    -0.02  -0.02   0.01
    21   1    -0.30   0.17  -0.09    -0.00  -0.00  -0.01    -0.01   0.01   0.03
    22   1    -0.04   0.27  -0.22    -0.00  -0.00  -0.00     0.00   0.02  -0.01
    23   1     0.01  -0.01   0.00    -0.04   0.00  -0.01     0.00  -0.00  -0.01
    24   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01   0.00   0.00     0.53  -0.30  -0.18    -0.44  -0.20   0.01
    26   1     0.00  -0.01  -0.00    -0.08   0.41  -0.14    -0.17   0.20   0.68
    27   1    -0.01  -0.00  -0.01     0.36  -0.11   0.51     0.41   0.23   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.0382              1484.2953              1493.7846
 Red. masses --      1.0679                 1.0485                 1.0639
 Frc consts  --      1.3839                 1.3610                 1.3987
 IR Inten    --      0.6536                 0.1051                 5.6850
 RamAct Fr= 1--      3.6442                 7.8895                 4.1147
  Dep-P Fr= 1--      0.7425                 0.7327                 0.6816
  Dep-U Fr= 1--      0.8522                 0.8457                 0.8106
 Alpha2 Fr= 1--      0.0005                 0.0023                 0.0050
 Beta2  Fr= 1--      0.5176                 1.1120                 0.5559
 AlphaG Fr= 1--     -0.0003                -0.0018                 0.0198
 Gamma2 Fr= 1--      1.6985                -1.4713                -0.5139
 Delta2 Fr= 1--      0.2133                -0.3858                 0.6347
 Raman1 Fr= 1--      14.577                 31.558                 16.459
 ROA1   Fr= 1--     169.877               -153.594                -29.024
 CID1   Fr= 1--      11.654                 -4.867                 -1.763
 Raman2 Fr= 1--       6.211                 13.344                  6.671
 ROA2   Fr= 1--      39.056                -32.225                -17.412
 CID2   Fr= 1--       6.288                 -2.415                 -2.610
 Raman3 Fr= 1--      12.423                 26.689                 13.342
 ROA3   Fr= 1--     169.877               -153.594                -29.024
 CID3   Fr= 1--      13.674                 -5.755                 -2.175
 RC180  Fr= 1--       0.704                  0.691                  0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.01    -0.03  -0.00   0.01    -0.01   0.02   0.00
     2   6     0.00  -0.01   0.01     0.00   0.00  -0.01    -0.02  -0.00  -0.02
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.01   0.02   0.01     0.03   0.01  -0.03    -0.01  -0.02  -0.03
     9   6    -0.05  -0.01   0.01     0.02   0.00  -0.00    -0.03  -0.01   0.01
    10   6    -0.02   0.03  -0.00     0.01  -0.02   0.00    -0.02   0.03  -0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.26   0.13  -0.31    -0.10  -0.05   0.11     0.17   0.12  -0.20
    13   1     0.37   0.08   0.20    -0.13  -0.03  -0.07     0.23   0.03   0.12
    14   1     0.00  -0.02  -0.00    -0.01  -0.00   0.01    -0.04   0.01   0.01
    15   1     0.04  -0.25  -0.15    -0.01   0.13   0.07     0.04  -0.27  -0.16
    16   1     0.16  -0.17   0.17    -0.08   0.08  -0.08     0.17  -0.18   0.18
    17   1    -0.08   0.05   0.20     0.27  -0.20   0.13     0.21  -0.14  -0.10
    18   1     0.19   0.00  -0.21     0.36   0.21  -0.11     0.02   0.10   0.13
    19   1    -0.02   0.33  -0.14    -0.15   0.05  -0.18    -0.07  -0.26   0.01
    20   1    -0.21   0.05   0.07    -0.38  -0.26   0.21     0.17  -0.25  -0.01
    21   1     0.17  -0.11  -0.05     0.04   0.04   0.42    -0.23   0.18   0.30
    22   1    -0.18  -0.22  -0.16    -0.11   0.11  -0.24     0.24   0.36   0.16
    23   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01     0.01  -0.00   0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.02  -0.01  -0.00     0.04   0.01  -0.00     0.01   0.00  -0.00
    26   1    -0.01   0.01   0.03     0.01  -0.01  -0.05     0.00  -0.00  -0.01
    27   1     0.02   0.01   0.01    -0.03  -0.02   0.00    -0.01  -0.01   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.0986              1505.5056              1508.3929
 Red. masses --      1.0934                 1.0554                 1.0870
 Frc consts  --      1.4535                 1.4095                 1.4571
 IR Inten    --      4.3388                 8.1984                 5.8650
 RamAct Fr= 1--      8.1928                 2.7875                 1.1197
  Dep-P Fr= 1--      0.5269                 0.7461                 0.7169
  Dep-U Fr= 1--      0.6901                 0.8546                 0.8351
 Alpha2 Fr= 1--      0.0355                 0.0002                 0.0006
 Beta2  Fr= 1--      0.9423                 0.3970                 0.1559
 AlphaG Fr= 1--      0.0175                -0.0042                 0.0012
 Gamma2 Fr= 1--      0.0494                 0.6425                 0.2001
 Delta2 Fr= 1--     -1.0041                -0.7471                 0.2430
 Raman1 Fr= 1--      32.771                 11.150                  4.479
 ROA1   Fr= 1--     -27.385                 37.770                 26.984
 CID1   Fr= 1--      -0.836                  3.387                  6.025
 Raman2 Fr= 1--      11.308                  4.764                  1.870
 ROA2   Fr= 1--       9.220                 21.397                  2.858
 CID2   Fr= 1--       0.815                  4.491                  1.528
 Raman3 Fr= 1--      22.616                  9.528                  3.740
 ROA3   Fr= 1--     -27.385                 37.770                 26.984
 CID3   Fr= 1--      -1.211                  3.964                  7.214
 RC180  Fr= 1--       0.380                  0.709                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.00  -0.03   0.02     0.03   0.00   0.01
     2   6    -0.03   0.03   0.01    -0.02  -0.04  -0.00     0.01   0.01  -0.02
     3   6     0.02   0.01  -0.00     0.01   0.00  -0.00     0.01   0.01  -0.00
     4   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.02    -0.03  -0.01  -0.01     0.01   0.00  -0.02
     9   6    -0.04  -0.02   0.01     0.00   0.01   0.00    -0.04  -0.02   0.01
    10   6     0.01  -0.05  -0.00     0.01  -0.02   0.00     0.02  -0.05   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.19   0.11  -0.22     0.00  -0.01   0.00     0.20   0.12  -0.23
    13   1     0.24   0.07   0.15     0.00  -0.01  -0.00     0.27   0.04   0.16
    14   1    -0.04  -0.03   0.01    -0.02  -0.00   0.01    -0.04  -0.02   0.01
    15   1    -0.03   0.31   0.17    -0.01   0.15   0.08    -0.04   0.32   0.18
    16   1    -0.17   0.19  -0.22    -0.08   0.10  -0.10    -0.20   0.20  -0.22
    17   1     0.34  -0.25  -0.04    -0.14   0.10   0.28    -0.27   0.20  -0.14
    18   1     0.22   0.21   0.07     0.24  -0.04  -0.33    -0.29  -0.22   0.02
    19   1    -0.17  -0.23  -0.12    -0.03   0.48  -0.19     0.11   0.01   0.12
    20   1     0.15   0.20  -0.11     0.35  -0.08  -0.12    -0.17  -0.22   0.12
    21   1     0.03  -0.07  -0.29    -0.22   0.14   0.00     0.01   0.04   0.31
    22   1     0.01  -0.16   0.10     0.25   0.22   0.27    -0.02   0.13  -0.10
    23   1    -0.01   0.00  -0.00     0.01  -0.01  -0.00    -0.01  -0.00  -0.01
    24   1    -0.01   0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    25   1     0.01  -0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
    26   1     0.00  -0.00  -0.01    -0.00   0.01   0.01    -0.00   0.00   0.00
    27   1    -0.00  -0.01   0.00     0.01   0.00   0.01     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.7788              1737.0293              3013.2685
 Red. masses --      5.9809                 9.8783                 1.0772
 Frc consts  --     10.1334                17.5609                 5.7625
 IR Inten    --     65.0249               276.7699                 8.4563
 RamAct Fr= 1--    390.7692               218.3889                66.8089
  Dep-P Fr= 1--      0.2865                 0.3254                 0.4707
  Dep-U Fr= 1--      0.4454                 0.4911                 0.6401
 Alpha2 Fr= 1--      4.1710                 2.0728                 0.3760
 Beta2  Fr= 1--     29.0105                17.8736                 7.1273
 AlphaG Fr= 1--      0.9418                -0.0143                -0.7533
 Gamma2 Fr= 1--     10.7624                -1.8500                -2.4929
 Delta2 Fr= 1--      1.0543                 0.7751               -10.4612
 Raman1 Fr= 1--    1563.077                873.556                267.236
 ROA1   Fr= 1--    1066.930               -152.801               -574.081
 CID1   Fr= 1--       0.683                 -0.175                 -2.148
 Raman2 Fr= 1--     348.125                214.483                 85.527
 ROA2   Fr= 1--     249.863                -50.602                 23.859
 CID2   Fr= 1--       0.718                 -0.236                  0.279
 Raman3 Fr= 1--     696.251                428.966                171.055
 ROA3   Fr= 1--    1066.930               -152.801               -574.081
 CID3   Fr= 1--       1.532                 -0.356                 -3.356
 RC180  Fr= 1--      -0.109                 -0.018                  0.280
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.06   0.01  -0.03     0.01   0.00  -0.00    -0.02   0.01  -0.07
     4   6     0.42  -0.18   0.15    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     5   6    -0.39   0.18  -0.14    -0.06   0.04  -0.03     0.00   0.00  -0.00
     6   6    -0.00   0.02  -0.01     0.49  -0.45   0.24    -0.00   0.00  -0.00
     7   8     0.05  -0.03   0.02    -0.32   0.29  -0.16     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.01
     9   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6     0.01  -0.00   0.01     0.00  -0.00   0.00     0.00   0.00   0.01
    11   6    -0.01   0.00  -0.00    -0.03   0.03  -0.02    -0.00   0.00  -0.00
    12   1     0.01   0.01  -0.01     0.01   0.00  -0.01    -0.01  -0.00  -0.01
    13   1     0.02   0.00   0.01     0.01   0.00   0.01    -0.01  -0.01   0.02
    14   1    -0.17  -0.03   0.01    -0.00   0.01   0.00     0.25  -0.13   0.89
    15   1    -0.02  -0.01   0.03    -0.01  -0.00   0.01    -0.04   0.02  -0.05
    16   1     0.00   0.03  -0.03     0.00   0.00  -0.00     0.00  -0.03  -0.03
    17   1     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    18   1     0.02   0.01   0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
    19   1    -0.02  -0.01  -0.02    -0.00  -0.00   0.00    -0.01   0.00   0.01
    20   1     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.06  -0.06  -0.17
    21   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.12   0.16  -0.02
    22   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.14   0.04   0.10
    23   1    -0.52  -0.13  -0.09    -0.01  -0.01   0.00     0.00   0.04  -0.01
    24   1     0.43   0.16   0.05     0.30  -0.01   0.07    -0.00  -0.01   0.00
    25   1     0.04  -0.01  -0.01    -0.08   0.19   0.04     0.00  -0.00   0.01
    26   1    -0.01  -0.01   0.00     0.03  -0.28   0.09    -0.00  -0.00  -0.00
    27   1     0.03   0.01   0.03    -0.03   0.13  -0.16     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3017.7771              3028.7763              3040.7290
 Red. masses --      1.0394                 1.0360                 1.0371
 Frc consts  --      5.5772                 5.5995                 5.6499
 IR Inten    --     35.8869                23.7258                 3.7612
 RamAct Fr= 1--    156.9794               212.7357               146.2868
  Dep-P Fr= 1--      0.0309                 0.0172                 0.0082
  Dep-U Fr= 1--      0.0599                 0.0338                 0.0162
 Alpha2 Fr= 1--      3.2447                 4.5411                 3.1895
 Beta2  Fr= 1--      1.5672                 1.1977                 0.3942
 AlphaG Fr= 1--     -1.1216                -0.2896                 0.7571
 Gamma2 Fr= 1--     -4.4101                 2.3310                 0.3706
 Delta2 Fr= 1--     -2.5456                 0.1769                -1.7395
 Raman1 Fr= 1--     627.918                850.943                585.147
 ROA1   Fr= 1--    -504.826                229.435                -20.091
 CID1   Fr= 1--      -0.804                  0.270                 -0.034
 Raman2 Fr= 1--      18.806                 14.373                  4.730
 ROA2   Fr= 1--     -85.477                 54.529                 22.810
 CID2   Fr= 1--      -4.545                  3.794                  4.822
 Raman3 Fr= 1--      37.612                 28.746                  9.461
 ROA3   Fr= 1--    -504.826                229.435                -20.091
 CID3   Fr= 1--     -13.422                  7.982                 -2.124
 RC180  Fr= 1--      -0.880                 -0.932                 -0.968
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.01    -0.01  -0.02  -0.04    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.01  -0.00   0.02     0.00  -0.00   0.01     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.02  -0.04   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.05  -0.02
    12   1     0.03   0.00   0.03     0.05   0.00   0.05     0.00   0.00   0.00
    13   1     0.01   0.01  -0.03     0.02   0.02  -0.06     0.00   0.00  -0.00
    14   1    -0.08   0.04  -0.28    -0.02   0.01  -0.08    -0.00   0.00  -0.01
    15   1     0.01  -0.01   0.02    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    16   1    -0.00   0.01   0.01     0.00   0.01   0.01     0.00   0.00   0.00
    17   1    -0.09  -0.12   0.01     0.34   0.48  -0.04     0.00   0.00  -0.00
    18   1    -0.06   0.08  -0.04     0.25  -0.34   0.19     0.00  -0.00   0.00
    19   1     0.12  -0.03  -0.09    -0.48   0.12   0.35    -0.00   0.00   0.00
    20   1    -0.15  -0.13  -0.41    -0.04  -0.03  -0.11    -0.00  -0.00  -0.00
    21   1     0.34   0.47  -0.06     0.08   0.11  -0.01     0.00   0.00  -0.00
    22   1    -0.43   0.12   0.31    -0.10   0.03   0.07    -0.00   0.00   0.00
    23   1    -0.00  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.03  -0.01
    24   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.12   0.63
    26   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.38  -0.05  -0.08
    27   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.36  -0.40  -0.36
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3052.1694              3070.4364              3074.1289
 Red. masses --      1.0578                 1.0595                 1.1008
 Frc consts  --      5.8062                 5.8849                 6.1294
 IR Inten    --     43.4519                20.6379                16.8992
 RamAct Fr= 1--    194.8592               127.4138                49.4403
  Dep-P Fr= 1--      0.0895                 0.0653                 0.5949
  Dep-U Fr= 1--      0.1643                 0.1225                 0.7460
 Alpha2 Fr= 1--      3.5000                 2.4266                 0.1424
 Beta2  Fr= 1--      5.3369                 2.6021                 6.1473
 AlphaG Fr= 1--     -0.2087                 0.1978                 0.1254
 Gamma2 Fr= 1--      2.9049                 5.6655                -0.5054
 Delta2 Fr= 1--     -3.4662                -4.8900                 2.1742
 Raman1 Fr= 1--     779.437                509.655                197.761
 ROA1   Fr= 1--     167.947                387.405                 21.060
 CID1   Fr= 1--       0.215                  0.760                  0.106
 Raman2 Fr= 1--      64.043                 31.226                 73.768
 ROA2   Fr= 1--      97.446                175.091                -29.523
 CID2   Fr= 1--       1.522                  5.607                 -0.400
 Raman3 Fr= 1--     128.086                 62.451                147.536
 ROA3   Fr= 1--     167.947                387.405                 21.060
 CID3   Fr= 1--       1.311                  6.203                  0.143
 RC180  Fr= 1--      -0.671                 -0.755                  0.492
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.02   0.01  -0.01
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00    -0.08  -0.03   0.03
     9   6     0.06   0.02  -0.00     0.01   0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00  -0.01  -0.00    -0.03   0.06  -0.01     0.00  -0.00   0.00
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.51  -0.05  -0.54    -0.11  -0.01  -0.11    -0.00   0.00  -0.00
    13   1    -0.22  -0.19   0.57     0.01   0.01  -0.02     0.02   0.01  -0.04
    14   1    -0.01   0.01  -0.04     0.01  -0.00   0.02    -0.00  -0.00  -0.00
    15   1    -0.02   0.01  -0.03     0.39  -0.24   0.59    -0.02   0.01  -0.03
    16   1     0.01   0.09   0.09    -0.04  -0.44  -0.46     0.00   0.03   0.03
    17   1     0.03   0.05  -0.00     0.02   0.02  -0.00    -0.09  -0.14   0.01
    18   1     0.02  -0.03   0.01    -0.02   0.03  -0.02     0.01   0.00  -0.00
    19   1    -0.03   0.01   0.02    -0.05   0.01   0.04    -0.12   0.03   0.09
    20   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.02   0.02   0.11
    21   1     0.04   0.06  -0.01     0.02   0.03  -0.00     0.39   0.57  -0.06
    22   1    -0.03   0.01   0.02     0.02  -0.01  -0.02     0.52  -0.17  -0.38
    23   1    -0.00  -0.01   0.00    -0.00  -0.02   0.00    -0.00  -0.01   0.00
    24   1    -0.00  -0.00   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3085.1836              3085.5797              3096.5469
 Red. masses --      1.1016                 1.1016                 1.0994
 Frc consts  --      6.1778                 6.1792                 6.2110
 IR Inten    --     26.0360                38.9282                 6.2940
 RamAct Fr= 1--     50.7571                88.1658                34.3159
  Dep-P Fr= 1--      0.6884                 0.7283                 0.7316
  Dep-U Fr= 1--      0.8155                 0.8428                 0.8450
 Alpha2 Fr= 1--      0.0549                 0.0328                 0.0108
 Beta2  Fr= 1--      6.8983                12.3842                 4.8327
 AlphaG Fr= 1--     -0.0434                 0.0648                 0.1378
 Gamma2 Fr= 1--     11.3062                 7.2074                12.5661
 Delta2 Fr= 1--     12.1418                 1.6232                 8.6838
 Raman1 Fr= 1--     203.028                352.663                137.264
 ROA1   Fr= 1--    1473.939                743.850               1484.227
 CID1   Fr= 1--       7.260                  2.109                 10.813
 Raman2 Fr= 1--      82.780                148.611                 57.993
 ROA2   Fr= 1--     174.215                159.991                232.115
 CID2   Fr= 1--       2.105                  1.077                  4.002
 Raman3 Fr= 1--     165.560                297.222                115.985
 ROA3   Fr= 1--    1473.939                743.850               1484.227
 CID3   Fr= 1--       8.903                  2.503                 12.797
 RC180  Fr= 1--       0.631                  0.686                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01    -0.07  -0.03   0.03    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.05  -0.07    -0.02   0.00   0.03     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.01
    10   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.02  -0.08
    12   1    -0.04  -0.00  -0.04     0.06   0.01   0.06    -0.05  -0.01  -0.05
    13   1     0.05   0.04  -0.11    -0.04  -0.03   0.09     0.03   0.02  -0.07
    14   1     0.01  -0.00   0.03    -0.00   0.00  -0.01     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    16   1    -0.00  -0.00  -0.00    -0.00  -0.03  -0.03     0.00   0.03   0.03
    17   1     0.09   0.14  -0.01     0.38   0.55  -0.03     0.00   0.01  -0.00
    18   1     0.03  -0.04   0.03    -0.02   0.00   0.00     0.01  -0.01   0.01
    19   1     0.15  -0.04  -0.11     0.50  -0.14  -0.38     0.02  -0.00  -0.01
    20   1     0.27   0.22   0.74    -0.07  -0.05  -0.17    -0.00  -0.00  -0.01
    21   1     0.18   0.25  -0.05     0.05   0.08  -0.00    -0.00  -0.00   0.00
    22   1    -0.30   0.08   0.20     0.21  -0.07  -0.15     0.01  -0.00  -0.00
    23   1    -0.00  -0.01   0.00    -0.00  -0.03   0.01     0.00   0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.14  -0.15   0.67
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.01  -0.02
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.39   0.44   0.37
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.6706              3099.1354              3118.9788
 Red. masses --      1.1076                 1.1004                 1.1078
 Frc consts  --      6.2577                 6.2270                 6.3492
 IR Inten    --     20.6574                30.1254                40.0595
 RamAct Fr= 1--    100.3240                27.8567                71.0369
  Dep-P Fr= 1--      0.5892                 0.6175                 0.5895
  Dep-U Fr= 1--      0.7415                 0.7635                 0.7417
 Alpha2 Fr= 1--      0.3007                 0.0676                 0.2126
 Beta2  Fr= 1--     12.3988                 3.5449                 8.7815
 AlphaG Fr= 1--      0.1980                 0.0752                 0.6181
 Gamma2 Fr= 1--    -34.0170                11.1616                -2.4441
 Delta2 Fr= 1--     -4.4555                -0.5402                -4.1703
 Raman1 Fr= 1--     401.296                111.427                284.147
 ROA1   Fr= 1--   -3408.203               1054.223               -368.080
 CID1   Fr= 1--      -8.493                  9.461                 -1.295
 Raman2 Fr= 1--     148.785                 42.539                105.378
 ROA2   Fr= 1--    -780.763                272.200                -25.296
 CID2   Fr= 1--      -5.248                  6.399                 -0.240
 Raman3 Fr= 1--     297.570                 85.079                210.756
 ROA3   Fr= 1--   -3408.203               1054.223               -368.080
 CID3   Fr= 1--     -11.453                 12.391                 -1.746
 RC180  Fr= 1--       0.483                  0.527                  0.483
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.00     0.04  -0.08   0.02    -0.00   0.01  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.01   0.01  -0.08    -0.00  -0.00   0.01    -0.01   0.00  -0.04
    10   6     0.01   0.02   0.03    -0.00  -0.01  -0.01    -0.03  -0.02  -0.08
    11   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.39   0.05   0.38    -0.02  -0.00  -0.02     0.21   0.02   0.21
    13   1    -0.26  -0.21   0.60     0.03   0.02  -0.07    -0.10  -0.08   0.22
    14   1    -0.01   0.00  -0.03     0.00  -0.00   0.01     0.02  -0.01   0.07
    15   1    -0.09   0.06  -0.13     0.02  -0.02   0.03     0.33  -0.22   0.49
    16   1    -0.02  -0.25  -0.24     0.01   0.12   0.12     0.02   0.47   0.45
    17   1    -0.01  -0.02   0.00     0.20   0.26  -0.02    -0.02  -0.03   0.00
    18   1    -0.06   0.08  -0.05    -0.46   0.63  -0.36     0.05  -0.07   0.04
    19   1    -0.10   0.03   0.08    -0.24   0.05   0.19     0.02  -0.00  -0.01
    20   1     0.05   0.03   0.12     0.01   0.01   0.03     0.01   0.01   0.04
    21   1     0.03   0.04  -0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    22   1    -0.05   0.01   0.03    -0.02   0.01   0.01    -0.01   0.00   0.01
    23   1    -0.00  -0.01   0.00    -0.00  -0.02   0.01     0.00  -0.00   0.00
    24   1    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.01   0.04  -0.01
    25   1     0.02  -0.02   0.08     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1    -0.05   0.05   0.04     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3133.7000              3146.1009              3171.5175
 Red. masses --      1.0877                 1.1011                 1.0885
 Frc consts  --      6.2931                 6.4214                 6.4508
 IR Inten    --     10.7506                10.8375                 5.8683
 RamAct Fr= 1--     76.1115                79.6986                46.0682
  Dep-P Fr= 1--      0.1608                 0.5775                 0.1781
  Dep-U Fr= 1--      0.2770                 0.7322                 0.3024
 Alpha2 Fr= 1--      1.1447                 0.2581                 0.6626
 Beta2  Fr= 1--      3.5143                 9.7260                 2.3215
 AlphaG Fr= 1--      0.4542                -0.1287                -0.5572
 Gamma2 Fr= 1--     -0.0610                -0.7622                -0.2034
 Delta2 Fr= 1--      0.7906                -2.5808                 1.7888
 Raman1 Fr= 1--     304.446                318.794                184.273
 ROA1   Fr= 1--      19.447               -155.760                 37.712
 CID1   Fr= 1--       0.064                 -0.489                  0.205
 Raman2 Fr= 1--      42.172                116.712                 27.858
 ROA2   Fr= 1--      -7.788                  2.353                -19.193
 CID2   Fr= 1--      -0.185                  0.020                 -0.689
 Raman3 Fr= 1--      84.344                233.424                 55.716
 ROA3   Fr= 1--      19.447               -155.760                 37.712
 CID3   Fr= 1--       0.231                 -0.667                  0.677
 RC180  Fr= 1--      -0.446                  0.464                 -0.395
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.01  -0.08   0.02     0.00   0.01  -0.00    -0.00  -0.01   0.00
     5   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.08   0.02
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.01  -0.00  -0.00    -0.09   0.01  -0.02     0.00   0.00   0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.01   0.01  -0.04     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.03   0.02  -0.04
    16   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    17   1     0.02   0.03  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.01   0.02  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.17   0.94  -0.24    -0.01  -0.09   0.02     0.01   0.09  -0.02
    24   1    -0.01  -0.08   0.02     0.00   0.03  -0.01     0.14   0.95  -0.24
    25   1    -0.00  -0.00   0.00     0.04  -0.05   0.26    -0.00   0.00  -0.00
    26   1     0.09   0.02   0.02     0.89   0.14   0.18    -0.02  -0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.14  -0.17  -0.16    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   827.057553373.570223697.61844
           X            0.99990   0.01286  -0.00560
           Y           -0.01289   0.99990  -0.00527
           Z            0.00553   0.00534   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10473     0.02567     0.02342
 Rotational constants (GHZ):           2.18212     0.53496     0.48808
 Zero-point vibrational energy     622113.0 (Joules/Mol)
                                  148.68857 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     51.84   103.61   124.30   179.23   218.80
          (Kelvin)            238.99   311.31   346.18   364.48   386.30
                              408.77   512.19   538.54   643.96   679.24
                              752.52   820.89   857.87   908.55  1072.42
                             1134.81  1172.81  1247.87  1268.72  1319.16
                             1367.60  1377.91  1396.43  1441.12  1444.64
                             1465.04  1474.04  1511.61  1567.01  1667.30
                             1689.45  1707.35  1763.65  1791.94  1817.05
                             1844.01  1847.32  1856.32  1892.49  1929.62
                             1984.20  1998.03  2023.12  2047.87  2116.99
                             2129.53  2133.76  2135.57  2149.22  2161.18
                             2166.09  2170.24  2439.85  2499.20  4335.42
                             4341.91  4357.73  4374.93  4391.39  4417.67
                             4422.99  4438.89  4439.46  4455.24  4455.42
                             4458.96  4487.51  4508.70  4526.54  4563.11
 
 Zero-point correction=                           0.236950 (Hartree/Particle)
 Thermal correction to Energy=                    0.249428
 Thermal correction to Enthalpy=                  0.250372
 Thermal correction to Gibbs Free Energy=         0.198137
 Sum of electronic and zero-point Energies=           -465.874851
 Sum of electronic and thermal Energies=              -465.862373
 Sum of electronic and thermal Enthalpies=            -465.861429
 Sum of electronic and thermal Free Energies=         -465.913664
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.518             46.420            109.939
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.712
 Vibrational            154.741             40.458             38.258
 Vibration     1          0.594              1.982              5.466
 Vibration     2          0.598              1.967              4.098
 Vibration     3          0.601              1.959              3.740
 Vibration     4          0.610              1.928              3.028
 Vibration     5          0.619              1.900              2.646
 Vibration     6          0.624              1.884              2.479
 Vibration     7          0.645              1.816              1.989
 Vibration     8          0.658              1.778              1.798
 Vibration     9          0.664              1.757              1.707
 Vibration    10          0.673              1.731              1.606
 Vibration    11          0.683              1.703              1.509
 Vibration    12          0.731              1.563              1.140
 Vibration    13          0.745              1.525              1.062
 Vibration    14          0.807              1.366              0.803
 Vibration    15          0.829              1.312              0.732
 Vibration    16          0.878              1.199              0.603
 Vibration    17          0.927              1.095              0.503
 Vibration    18          0.954              1.040              0.456
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.730449D-91        -91.136410       -209.849339
 Total V=0       0.712975D+18         17.853075         41.108223
 Vib (Bot)       0.861463-105       -105.064763       -241.920558
 Vib (Bot)    1  0.574367D+01          0.759190          1.748099
 Vib (Bot)    2  0.286309D+01          0.456835          1.051902
 Vib (Bot)    3  0.238134D+01          0.376821          0.867663
 Vib (Bot)    4  0.163868D+01          0.214495          0.493893
 Vib (Bot)    5  0.133258D+01          0.124693          0.287116
 Vib (Bot)    6  0.121474D+01          0.084485          0.194534
 Vib (Bot)    7  0.915557D+00         -0.038315         -0.088223
 Vib (Bot)    8  0.814711D+00         -0.088996         -0.204921
 Vib (Bot)    9  0.769207D+00         -0.113957         -0.262395
 Vib (Bot)   10  0.720352D+00         -0.142455         -0.328015
 Vib (Bot)   11  0.675234D+00         -0.170546         -0.392696
 Vib (Bot)   12  0.516239D+00         -0.287149         -0.661185
 Vib (Bot)   13  0.484960D+00         -0.314294         -0.723688
 Vib (Bot)   14  0.383902D+00         -0.415779         -0.957367
 Vib (Bot)   15  0.356660D+00         -0.447745         -1.030972
 Vib (Bot)   16  0.307754D+00         -0.511796         -1.178453
 Vib (Bot)   17  0.269604D+00         -0.569274         -1.310801
 Vib (Bot)   18  0.251397D+00         -0.599640         -1.380721
 Vib (V=0)       0.840855D+04          3.924721          9.037005
 Vib (V=0)    1  0.626540D+01          0.796949          1.835042
 Vib (V=0)    2  0.340642D+01          0.532299          1.225663
 Vib (V=0)    3  0.293326D+01          0.467351          1.076116
 Vib (V=0)    4  0.221327D+01          0.345034          0.794469
 Vib (V=0)    5  0.192329D+01          0.284046          0.654039
 Vib (V=0)    6  0.181362D+01          0.258547          0.595326
 Vib (V=0)    7  0.154319D+01          0.188419          0.433851
 Vib (V=0)    8  0.145591D+01          0.163133          0.375628
 Vib (V=0)    9  0.141743D+01          0.151502          0.348846
 Vib (V=0)   10  0.137687D+01          0.138894          0.319815
 Vib (V=0)   11  0.134020D+01          0.127171          0.292821
 Vib (V=0)   12  0.121868D+01          0.085890          0.197769
 Vib (V=0)   13  0.119655D+01          0.077932          0.179445
 Vib (V=0)   14  0.113038D+01          0.053225          0.122555
 Vib (V=0)   15  0.111417D+01          0.046952          0.108111
 Vib (V=0)   16  0.108712D+01          0.036278          0.083534
 Vib (V=0)   17  0.106805D+01          0.028594          0.065839
 Vib (V=0)   18  0.105964D+01          0.025160          0.057932
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.114979D+07          6.060619         13.955092
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000005070   -0.000002792   -0.000001900
      2        6           0.000000477    0.000008275   -0.000012231
      3        6           0.000002361   -0.000001689    0.000007765
      4        6          -0.000000935    0.000002649    0.000002855
      5        6           0.000001046   -0.000004946   -0.000004627
      6        6          -0.000001547    0.000003038    0.000001242
      7        8          -0.000001311   -0.000000360    0.000005208
      8        6           0.000001029   -0.000001641    0.000004791
      9        6          -0.000008766   -0.000000465    0.000005282
     10        6           0.000005641   -0.000004578   -0.000002329
     11        6           0.000004866   -0.000006368   -0.000016457
     12        1          -0.000001472    0.000002830    0.000002842
     13        1           0.000001791    0.000001951    0.000003175
     14        1          -0.000001718   -0.000003327    0.000001251
     15        1          -0.000001260    0.000001603   -0.000001259
     16        1          -0.000001065   -0.000000265    0.000002730
     17        1           0.000001053    0.000000473   -0.000000476
     18        1           0.000000024    0.000003758   -0.000000882
     19        1           0.000002114    0.000002156    0.000000743
     20        1           0.000001628   -0.000001322    0.000001742
     21        1           0.000000523    0.000000298   -0.000000754
     22        1           0.000001204    0.000001068    0.000000263
     23        1           0.000001596   -0.000001148   -0.000001522
     24        1          -0.000000119    0.000001189   -0.000000490
     25        1          -0.000002879    0.000002462    0.000002264
     26        1          -0.000000250   -0.000001128   -0.000002431
     27        1           0.000001040   -0.000001724    0.000003204
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016457 RMS     0.000003694
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.167536D+03 -0.588681D+01  0.678872D+01
      2  -0.588681D+01  0.121636D+03 -0.321614D+01
      3   0.678872D+01 -0.321614D+01  0.103402D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.222950D+01 -0.149905D+01 -0.115474D+02
      2   0.413726D+02 -0.145356D+02 -0.358906D+02
      3  -0.113913D+01  0.187325D+02  0.125793D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.593775D+02 -0.170119D+02  0.348770D+02
      2  -0.136836D+02  0.190628D+02 -0.181252D+02
      3  -0.456939D+02 -0.205098D+01 -0.167517D+02
      4   0.253638D+01 -0.334812D+02 -0.337900D+02
      5   0.309477D+02 -0.321034D+02 -0.881476D+02
      6  -0.102075D+02 -0.435088D+01  0.278349D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.307140D+01 -0.181281D+01 -0.376392D+01 -0.126241D+01 -0.367315D+01
      2  -0.181281D+01 -0.367681D+01  0.206080D+01 -0.367315D+01 -0.181959D+01
      3  -0.376392D+01  0.206080D+01  0.320056D+01  0.211659D+01 -0.185282D+01
                 6             7             8             9            10 
      1   0.211659D+01 -0.344887D+01  0.254687D+01  0.311503D+01 -0.199252D+02
      2  -0.185282D+01  0.254687D+01 -0.138243D+01  0.720977D+00  0.401269D+01
      3   0.137841D+01  0.311503D+01  0.720977D+00  0.544252D+00  0.270152D+01
                11            12            13            14            15 
      1   0.401269D+01  0.270152D+01  0.109764D+02  0.147255D+01 -0.228999D+01
      2   0.233095D+01 -0.194617D+01  0.147255D+01  0.428221D+01  0.131136D+01
      3  -0.194617D+01 -0.320180D+01 -0.228999D+01  0.131136D+01 -0.821237D+00
                16            17            18            19            20 
      1   0.118694D+02 -0.343579D+01 -0.499603D+01  0.336339D+02 -0.447475D+01
      2  -0.343579D+01  0.231024D+01 -0.270094D+00 -0.447475D+01  0.257346D+01
      3  -0.499603D+01 -0.270094D+00 -0.261761D+01  0.104197D+01  0.820504D+00
                21            22            23            24            25 
      1   0.104197D+01 -0.928633D+01  0.291681D+01  0.175903D+01 -0.315304D+01
      2   0.820504D+00  0.291681D+01  0.160850D+01 -0.161276D+01  0.206292D+01
      3   0.266132D+01  0.175903D+01 -0.161276D+01 -0.204149D+01  0.605433D+01
                26            27            28            29            30 
      1   0.206292D+01  0.605433D+01 -0.506729D+02  0.527104D+01 -0.466823D+01
      2  -0.234956D+01 -0.171317D+01  0.527104D+01 -0.230250D+01 -0.165271D+00
      3  -0.171317D+01  0.513992D+01 -0.466823D+01 -0.165271D+00 -0.242421D+01
                31            32            33            34            35 
      1   0.141318D+02 -0.450736D+01  0.925053D+00 -0.134664D+02  0.181715D+00
      2  -0.450736D+01 -0.184388D+01  0.113872D+01  0.181715D+00  0.106766D+01
      3   0.925053D+00  0.113872D+01  0.150793D+01 -0.664323D+01  0.111491D+01
                36            37            38            39            40 
      1  -0.664323D+01  0.498374D+02 -0.705808D+01  0.657104D+01 -0.108320D+02
      2   0.111491D+01 -0.705808D+01  0.105408D+01 -0.376012D+00  0.369034D+01
      3  -0.468219D+01  0.657104D+01 -0.376012D+00  0.245828D+01 -0.516665D+00
                41            42            43            44            45 
      1   0.369034D+01 -0.516665D+00  0.142338D+02 -0.106594D+01  0.552408D+01
      2   0.281413D+01 -0.158290D+01 -0.106594D+01 -0.184677D+01 -0.131959D+01
      3  -0.158290D+01 -0.174287D+01  0.552408D+01 -0.131959D+01  0.255779D+01
                46            47            48            49            50 
      1  -0.358668D+02  0.709045D+01 -0.698254D+01  0.744784D+01 -0.352537D+01
      2   0.709045D+01 -0.189997D+01  0.192293D+01 -0.352537D+01 -0.192254D+01
      3  -0.698254D+01  0.192293D+01 -0.800594D+00  0.257970D+01  0.275489D-01
                51            52            53            54            55 
      1   0.257970D+01 -0.960510D+01  0.265206D+01 -0.182179D+01  0.293311D+02
      2   0.275489D-01  0.265206D+01  0.237238D+00  0.876904D+00 -0.645096D+01
      3   0.910147D+00 -0.182179D+01  0.876904D+00 -0.731106D+00  0.512857D+01
                56            57            58            59            60 
      1  -0.645096D+01  0.512857D+01 -0.202730D+02  0.683427D+01 -0.370375D+01
      2   0.314739D+01 -0.129603D+01  0.683427D+01 -0.533219D+01  0.175723D+01
      3  -0.129603D+01  0.190942D+01 -0.370375D+01  0.175723D+01 -0.176882D+01
                61            62            63            64            65 
      1   0.103273D+02 -0.178281D+01  0.578572D+01  0.574174D+01 -0.264202D+01
      2  -0.178281D+01  0.979611D+00 -0.264477D+01 -0.264202D+01 -0.292073D+01
      3   0.578572D+01 -0.264477D+01  0.354381D+01 -0.206286D+01  0.254524D+01
                66            67            68            69            70 
      1  -0.206286D+01 -0.236228D+01 -0.231561D+01  0.273648D+01 -0.375400D+01
      2   0.254524D+01 -0.231561D+01 -0.336641D+01 -0.423593D+00  0.276687D+01
      3   0.283847D+01  0.273648D+01 -0.423593D+00  0.153453D+01  0.375659D+01
                71            72            73            74            75 
      1   0.276687D+01  0.375659D+01  0.298143D+01  0.190721D+01  0.139576D+01
      2  -0.849498D+00  0.656378D+00  0.190721D+01 -0.216164D+01 -0.797484D+00
      3   0.656378D+00  0.436814D+01  0.139576D+01 -0.797484D+00  0.291789D+01
                76            77            78            79            80 
      1   0.315517D+01 -0.263557D+01 -0.172379D+01 -0.519670D+00 -0.120792D+01
      2  -0.263557D+01 -0.518392D+01 -0.361634D+00 -0.120792D+01 -0.918588D+00
      3  -0.172379D+01 -0.361634D+00  0.137418D+01  0.480694D+01  0.198090D+01
                81            82            83            84            85 
      1   0.480694D+01  0.272430D+01 -0.220449D+01 -0.198396D+01 -0.281843D+01
      2   0.198090D+01 -0.220449D+01 -0.162999D+01  0.168285D+01 -0.211187D+01
      3  -0.122031D+01 -0.198396D+01  0.168285D+01 -0.805627D+00  0.133998D+01
                86            87            88            89            90 
      1  -0.211187D+01  0.133998D+01 -0.189096D+01  0.184561D+01 -0.117088D+01
      2   0.129570D+01  0.268111D+01  0.184561D+01  0.379449D+01  0.255494D+01
      3   0.268111D+01  0.213382D+01 -0.117088D+01  0.255494D+01 -0.438045D+00
                91            92            93            94            95 
      1  -0.835255D+01 -0.198790D+01 -0.203804D+01  0.680687D+00  0.335249D+01
      2  -0.198790D+01  0.327103D+01 -0.524693D-01  0.335249D+01  0.950163D+00
      3  -0.203804D+01 -0.524693D-01  0.170370D+01  0.490895D-01 -0.115111D+01
                96            97            98            99           100 
      1   0.490895D-01 -0.316528D+01 -0.161380D+00  0.555270D+00 -0.649910D+01
      2  -0.115111D+01 -0.161380D+00 -0.109736D+01 -0.251331D+01 -0.157067D+01
      3  -0.184234D+01  0.555270D+00 -0.251331D+01  0.368651D+01 -0.261251D+01
               101           102           103           104           105 
      1  -0.157067D+01 -0.261251D+01 -0.457915D+00 -0.884643D+00 -0.126402D+00
      2  -0.134519D+01 -0.456091D+00 -0.884643D+00 -0.229919D+00 -0.544435D+00
      3  -0.456091D+00 -0.223980D+01 -0.126402D+00 -0.544435D+00 -0.380259D+00
               106           107           108           109           110 
      1  -0.479225D+01 -0.743374D+00 -0.302019D+01 -0.307681D+01 -0.154071D+01
      2  -0.743374D+00 -0.145020D+01 -0.101730D+01 -0.154071D+01 -0.834162D+00
      3  -0.302019D+01 -0.101730D+01 -0.274223D+01  0.178863D+01  0.795982D+00
               111           112           113           114           115 
      1   0.178863D+01 -0.977239D+00 -0.126886D+01  0.976306D+00  0.443895D+01
      2   0.795982D+00 -0.126886D+01 -0.136555D+01  0.127837D+01  0.184480D+01
      3  -0.198330D+01  0.976306D+00  0.127837D+01 -0.129029D+01 -0.388990D+01
               116           117           118           119           120 
      1   0.184480D+01 -0.388990D+01 -0.479391D+01  0.101221D+01 -0.175550D+01
      2   0.237756D+01 -0.199006D+01  0.101221D+01 -0.580670D+00  0.224421D-01
      3  -0.199006D+01  0.509229D+01 -0.175550D+01  0.224421D-01 -0.173405D+01
               121           122           123           124           125 
      1   0.443313D+01 -0.117229D+01  0.179781D+00 -0.363682D+01 -0.538540D-01
      2  -0.117229D+01  0.236028D+00 -0.982765D+00 -0.538540D-01 -0.128041D+01
      3   0.179781D+00 -0.982765D+00  0.108170D+01 -0.325414D+01  0.936961D+00
               126           127           128           129           130 
      1  -0.325414D+01  0.208048D+01 -0.222308D+00  0.934762D+00 -0.465377D+00
      2   0.936961D+00 -0.222308D+00  0.160219D+01 -0.752126D+00  0.835224D+00
      3  -0.837930D+01  0.934762D+00 -0.752126D+00  0.126728D+01 -0.497431D+00
               131           132           133           134           135 
      1   0.835224D+00 -0.497431D+00  0.185469D+01 -0.621768D+00  0.830863D+00
      2  -0.232510D+01  0.819552D+00 -0.621768D+00  0.198610D+01 -0.168970D+01
      3   0.819552D+00 -0.118315D+01  0.830863D+00 -0.168970D+01  0.287424D+01
               136           137           138           139           140 
      1  -0.727675D+00 -0.940470D+00 -0.432790D+00 -0.475446D+00 -0.387988D+00
      2  -0.940470D+00 -0.107757D+00 -0.213973D+00 -0.387988D+00 -0.701048D+01
      3  -0.432790D+00 -0.213973D+00  0.255574D-01 -0.220502D+00 -0.324800D+01
               141           142           143           144           145 
      1  -0.220502D+00 -0.108669D+01 -0.471607D+00  0.909275D-01  0.232739D+01
      2  -0.324800D+01 -0.471607D+00 -0.472347D+01 -0.337852D+01  0.183710D+01
      3  -0.239616D+01  0.909275D-01 -0.337852D+01 -0.320578D+01  0.585921D+00
               146           147           148           149           150 
      1   0.183710D+01  0.585921D+00  0.199730D+01  0.220885D+01  0.166458D+00
      2   0.278450D+01  0.532004D+00  0.220885D+01  0.538682D+01  0.140155D+01
      3   0.532004D+00  0.833928D+00  0.166458D+00  0.140155D+01  0.157119D+01
               151           152           153           154           155 
      1  -0.149162D+00 -0.489482D-01  0.223988D+00  0.192411D+01 -0.801497D+00
      2  -0.489482D-01  0.156505D+00  0.595996D+00 -0.801497D+00  0.154086D+01
      3   0.223988D+00  0.595996D+00  0.320695D+00  0.123427D+01 -0.667537D+00
               156           157           158           159           160 
      1   0.123427D+01 -0.140642D+01  0.130309D+01 -0.809379D+00  0.110115D+01
      2  -0.667537D+00  0.130309D+01 -0.235295D+01  0.120545D+01 -0.685777D+00
      3   0.152730D+01 -0.809379D+00  0.120545D+01 -0.265013D+01  0.715185D+00
               161           162           163           164           165 
      1  -0.685777D+00  0.715185D+00 -0.527944D+01  0.154194D+01  0.356658D+01
      2   0.119672D+01 -0.117189D+01  0.154194D+01 -0.126720D+01 -0.142414D+01
      3  -0.117189D+01  0.257465D+01  0.356658D+01 -0.142414D+01 -0.426295D+01
               166           167           168           169           170 
      1   0.752463D+00 -0.675230D+00 -0.812228D+00  0.245209D+01 -0.100713D+01
      2  -0.675230D+00  0.119694D+01  0.124685D+01 -0.100713D+01  0.112742D+01
      3  -0.812228D+00  0.124685D+01  0.862123D+00 -0.302358D+01  0.121927D+01
               171           172           173           174           175 
      1  -0.302358D+01 -0.240363D+01  0.299930D+00 -0.160054D+01 -0.884522D+00
      2   0.121927D+01  0.299930D+00 -0.162873D+00 -0.163792D+00  0.806094D-01
      3   0.445780D+01 -0.160054D+01 -0.163792D+00 -0.216300D+01 -0.769803D+00
               176           177           178           179           180 
      1   0.806094D-01 -0.769803D+00 -0.255263D+01  0.217811D+00 -0.313051D+01
      2  -0.425849D+00 -0.711034D+00  0.217811D+00 -0.151260D+01  0.191034D+00
      3  -0.711034D+00 -0.136871D+01 -0.313051D+01  0.191034D+00 -0.681737D+01
               181           182           183           184           185 
      1   0.134508D+01  0.126525D+01  0.410701D-01  0.175569D+01  0.894867D+00
      2   0.126525D+01  0.365719D+01 -0.825698D+00  0.894867D+00  0.757829D+01
      3   0.410701D-01 -0.825698D+00  0.695378D+00 -0.260496D+00 -0.112483D+01
               186           187           188           189           190 
      1  -0.260496D+00  0.292334D+00 -0.453999D+00 -0.114821D+00 -0.776663D+01
      2  -0.112483D+01 -0.453999D+00 -0.592647D+00  0.100583D+01  0.325556D+01
      3   0.115630D+01 -0.114821D+00  0.100583D+01 -0.844722D+00  0.188537D+01
               191           192           193           194           195 
      1   0.325556D+01  0.188537D+01  0.169326D+01 -0.167913D+01 -0.773892D+00
      2  -0.208423D+01 -0.835568D+00 -0.167913D+01  0.206125D+01  0.598048D+00
      3  -0.835568D+00 -0.192479D+01 -0.773892D+00  0.598048D+00  0.384950D+00
               196           197           198           199           200 
      1   0.457146D+01 -0.206261D+01 -0.216144D+01 -0.392039D+00  0.140130D+01
      2  -0.206261D+01  0.197803D+01  0.815558D+00  0.140130D+01  0.785659D+00
      3  -0.216144D+01  0.815558D+00  0.154736D+01 -0.653328D+00 -0.116663D+00
               201           202           203           204           205 
      1  -0.653328D+00  0.215382D+01  0.957825D+00  0.346603D-01 -0.190245D+01
      2  -0.116663D+00  0.957825D+00  0.572094D+01 -0.166687D+01  0.382749D+00
      3  -0.768103D-01  0.346603D-01 -0.166687D+01  0.132923D+01  0.806570D+00
               206           207           208           209           210 
      1   0.382749D+00  0.806570D+00  0.332605D+00 -0.105399D+01  0.395805D+00
      2  -0.139928D+01  0.879618D+00 -0.105399D+01 -0.684550D-01 -0.591886D-01
      3   0.879618D+00 -0.542324D+00  0.395805D+00 -0.591886D-01  0.145280D+00
               211           212           213           214           215 
      1  -0.233918D+01 -0.300462D+00 -0.850626D-01  0.726076D+00 -0.108945D+00
      2  -0.300462D+00 -0.662607D+01  0.106884D+01 -0.108945D+00  0.150004D+01
      3  -0.850626D-01  0.106884D+01 -0.114036D+01 -0.277977D+00 -0.791463D+00
               216           217           218           219           220 
      1  -0.277977D+00  0.115913D+01  0.266013D+00 -0.467002D+00  0.108724D+01
      2  -0.791463D+00  0.266013D+00 -0.958962D+00  0.189624D+00  0.982808D-01
      3   0.417769D+00 -0.467002D+00  0.189624D+00 -0.640226D+00  0.196359D-01
               221           222           223           224           225 
      1   0.982808D-01  0.196359D-01 -0.200522D+01 -0.942383D+00  0.616272D+00
      2   0.146857D+01 -0.104088D+01 -0.942383D+00 -0.247617D+01  0.237779D+01
      3  -0.104088D+01  0.137806D+01  0.616272D+00  0.237779D+01 -0.667938D+01
               226           227           228           229           230 
      1   0.989625D+01  0.289448D+01  0.714071D+00  0.126875D+01  0.104278D+01
      2   0.289448D+01  0.197971D+01  0.191048D+00  0.104278D+01  0.777130D+00
      3   0.714071D+00  0.191048D+00  0.128721D+01  0.139527D+00  0.294465D+00
               231           232           233           234           235 
      1   0.139527D+00  0.159849D+01  0.512825D+00  0.112075D+01 -0.629636D+00
      2   0.294465D+00  0.512825D+00  0.619405D+00  0.645162D+00  0.705473D+00
      3   0.332602D+00  0.112075D+01  0.645162D+00  0.205857D+00  0.103588D+01
               236           237           238           239           240 
      1   0.705473D+00  0.103588D+01  0.230705D+01 -0.550474D+00 -0.432905D+00
      2  -0.272589D+01 -0.615217D+00 -0.550474D+00  0.442777D+01  0.147453D+01
      3  -0.615217D+00 -0.121443D+01 -0.432905D+00  0.147453D+01  0.169068D+01
               241           242           243 
      1   0.166276D+01 -0.159998D+00 -0.498014D+00
      2  -0.159998D+00  0.254798D+01  0.192765D+01
      3  -0.498014D+00  0.192765D+01  0.156929D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.100891D+01 -0.108039D+02  0.188720D+01 -0.111085D+02 -0.269101D+01
      2   0.688311D+01  0.849511D+00  0.533815D+01 -0.468838D+00  0.116522D+02
      3  -0.201719D+01 -0.105289D+02 -0.934297D+00 -0.603416D+01 -0.736392D+01
                 6             7             8             9            10 
      1  -0.812303D+01  0.205197D+01 -0.209658D+01  0.307946D+01 -0.770312D+01
      2  -0.683175D+01 -0.131259D+01 -0.541990D+01 -0.650588D+01 -0.232162D+02
      3  -0.260206D+00  0.121433D+01 -0.158091D+00  0.389325D+01  0.393622D+01
                11            12            13            14            15 
      1   0.535825D+01  0.212924D+01  0.566481D+01 -0.873307D+00 -0.353511D+01
      2   0.729574D+01  0.112336D+02  0.143693D+02 -0.658774D+01  0.234395D+01
      3   0.527769D+01 -0.159794D+01  0.121494D+02  0.137071D+02  0.170685D+01
                16            17            18            19            20 
      1   0.391718D+01  0.530665D+01  0.833676D+00  0.997584D+01 -0.389855D+01
      2   0.133920D+02  0.947811D+00  0.327216D+01  0.249457D+02 -0.551097D+01
      3  -0.287054D+01  0.728795D+00 -0.350900D+01 -0.404197D+01 -0.448398D+01
                21            22            23            24            25 
      1  -0.250161D+01 -0.515999D+01 -0.471837D+01 -0.620340D+00 -0.693805D+01
      2   0.142029D+01 -0.115936D+02  0.476924D+01  0.387207D+01 -0.162157D+02
      3  -0.768622D+00  0.786248D+01 -0.154334D+01 -0.579235D+00 -0.236631D+01
                26            27            28            29            30 
      1   0.445035D+01  0.270842D+01 -0.104094D+02  0.148794D+01  0.142476D+01
      2   0.357367D+01  0.267451D+01 -0.291543D+02  0.267368D+01 -0.754127D+01
      3  -0.749175D+00 -0.161864D+01  0.477000D+01  0.249325D+01  0.218765D+01
                31            32            33            34            35 
      1   0.266571D+01  0.290975D+01 -0.190669D+01  0.567576D+01  0.271188D+01
      2   0.774604D+01 -0.298514D+01  0.155065D+01 -0.409533D+02  0.322485D+01
      3   0.178335D+02 -0.133675D+01  0.105960D+01  0.752720D+01  0.122146D+01
                36            37            38            39            40 
      1  -0.951564D+00  0.826137D+01 -0.136702D+01 -0.271250D+01 -0.716407D+01
      2  -0.995625D+01  0.363014D+02 -0.371423D+01  0.126065D+02 -0.647785D+01
      3   0.692488D+00  0.217412D+01 -0.631475D+01 -0.179125D+01  0.890928D+01
                41            42            43            44            45 
      1   0.362490D+00 -0.198167D+01 -0.551030D+01  0.106272D+01 -0.896404D+00
      2  -0.104646D+01  0.482858D+00  0.118402D+02 -0.702418D+00  0.688175D+01
      3  -0.120082D+02  0.472701D+01 -0.453085D+01  0.313486D+01  0.338128D+00
                46            47            48            49            50 
      1  -0.745669D+01 -0.153895D+01  0.833927D+01 -0.135106D+01  0.675702D+01
      2  -0.208752D+02  0.433091D+01 -0.170433D+02  0.234295D+01 -0.134236D+01
      3  -0.863821D+01  0.956806D+01  0.235518D+01  0.169316D+02  0.439151D+01
                51            52            53            54            55 
      1   0.404069D+01  0.381681D+01  0.149400D+02 -0.323541D+01  0.391843D+01
      2   0.275471D+01 -0.257290D+02 -0.105800D+01 -0.777721D+01  0.163621D+02
      3   0.217696D+01  0.148450D+01  0.509106D+01 -0.163478D+01  0.472258D+01
                56            57            58            59            60 
      1   0.161291D+01 -0.163696D+01 -0.155692D+01 -0.242277D+01 -0.460780D+01
      2  -0.408526D+01  0.173143D+02 -0.109078D+02  0.579231D+01 -0.111899D+02
      3  -0.179233D+02  0.477489D+00 -0.697019D+01  0.176878D+02 -0.333933D+01
                61            62            63            64            65 
      1   0.204887D+01 -0.640857D+00  0.198363D+01  0.579316D+01 -0.380703D+01
      2   0.142059D+02 -0.557659D+01  0.134550D+02  0.946933D+01 -0.101583D+02
      3  -0.204116D+00 -0.707355D+01  0.511484D+01  0.376298D+00 -0.181507D+02
                66            67            68            69            70 
      1  -0.762758D+01 -0.370512D+01  0.365704D+01 -0.386785D+01 -0.107690D+02
      2  -0.857895D+01 -0.927240D+01  0.114262D+00 -0.264943D+01 -0.162700D+02
      3   0.518587D+01 -0.784169D+01 -0.183036D+02  0.376775D+01  0.395881D+01
                71            72            73            74            75 
      1   0.208632D+01 -0.915780D+01  0.373170D+01 -0.326868D+01  0.375577D+01
      2   0.497877D+00 -0.115642D+02 -0.207200D+01  0.187453D+01 -0.908593D+01
      3   0.399787D+01  0.884412D+01  0.721903D+01 -0.153374D+02 -0.723042D+01
                76            77            78            79            80 
      1  -0.227402D+01 -0.280961D+01  0.164090D+00  0.695103D+01  0.552070D+01
      2   0.518839D+01  0.191381D+01 -0.531743D+01 -0.221718D+02 -0.785132D+01
      3  -0.831496D+01 -0.136255D+02  0.973840D-01 -0.772957D+01  0.824281D+00
                81            82            83            84            85 
      1  -0.151857D+01 -0.361557D+01  0.622951D+01 -0.260577D+01  0.839328D+01
      2   0.510426D+01  0.369569D+01 -0.299970D+01  0.249100D+01 -0.515562D+01
      3   0.142140D+01 -0.100173D+02  0.583932D-01  0.791153D+01  0.777483D+01
                86            87            88            89            90 
      1   0.914136D+01  0.160754D+01 -0.169654D+01  0.905891D+01 -0.131040D+01
      2  -0.358467D+01 -0.118538D+01 -0.128454D+01 -0.406865D+00  0.275981D+00
      3   0.522377D+01 -0.127191D+01  0.104279D+02 -0.838044D+00  0.654296D+01
                91            92            93            94            95 
      1   0.313011D+01 -0.268746D+01 -0.559787D+01  0.965354D-01  0.247076D+01
      2  -0.937393D+01 -0.289419D+00  0.840975D+01  0.979425D+00 -0.297980D+01
      3  -0.109268D+01 -0.193270D+02 -0.349771D+01 -0.855134D+01  0.156291D+01
                96            97            98            99           100 
      1  -0.731666D+00  0.310133D+01  0.109046D+02 -0.680709D+01 -0.330278D+01
      2  -0.450131D+01 -0.212205D+01 -0.989053D+01  0.132884D+02  0.785671D+01
      3   0.445710D+01 -0.295319D+01  0.582488D+01  0.121981D+02  0.385812D+01
               101           102           103           104           105 
      1   0.469451D+00 -0.336076D+01 -0.162864D+00 -0.599944D+00 -0.137705D+01
      2   0.105623D+01  0.944512D+01  0.682086D+00  0.147987D+01  0.143086D+01
      3  -0.424358D+01  0.202612D+01  0.212271D-01  0.895022D+00 -0.150600D+01
               106           107           108           109           110 
      1  -0.360746D+01  0.590983D+00 -0.385411D+01  0.201692D+01  0.650045D-01
      2   0.707202D+01  0.271557D+01  0.935208D+01 -0.345112D+01 -0.234768D+01
      3   0.374461D+01 -0.524278D+01  0.671080D+00  0.312548D+00 -0.241300D+01
               111           112           113           114           115 
      1  -0.286197D+01  0.173901D+01  0.939206D+00 -0.252840D+01 -0.425738D+01
      2   0.759587D+01 -0.192980D+01 -0.420675D+01  0.445986D+01  0.933782D+01
      3   0.390197D+00 -0.379602D-01 -0.284865D+01  0.247903D+01  0.280595D+00
               116           117           118           119           120 
      1   0.110054D+01  0.718185D+01 -0.153279D+01  0.154307D+01 -0.344417D+00
      2   0.587202D+01 -0.168099D+02 -0.329586D+01  0.127303D+01  0.130974D+01
      3   0.697534D+01 -0.152752D+01  0.964923D+00 -0.187149D+01  0.630858D+00
               121           122           123           124           125 
      1   0.250423D+01 -0.839973D-01  0.462280D+00  0.179921D+01  0.412746D+01
      2   0.511236D+01 -0.768822D+00 -0.687986D+00 -0.395806D+01 -0.807301D+00
      3   0.133402D+01 -0.161407D+00 -0.606294D+00  0.974335D+00 -0.169843D+01
               126           127           128           129           130 
      1  -0.261810D+01  0.263184D+01 -0.184194D+01  0.397551D+01 -0.164424D+01
      2   0.454931D+01 -0.236377D+01  0.814774D+00 -0.378224D+00  0.954761D+00
      3   0.111476D+01 -0.806440D+01  0.147996D+01 -0.429302D+01  0.368561D+01
               131           132           133           134           135 
      1   0.187930D+01 -0.394762D+01  0.260098D+01 -0.224508D+01  0.853060D+01
      2  -0.106235D+01  0.964753D+00 -0.320685D+01  0.194329D+01 -0.271117D+01
      3  -0.533661D+01  0.274224D+01 -0.756132D+01  0.431090D+01 -0.585311D+01
               136           137           138           139           140 
      1  -0.244080D+00 -0.648090D+00  0.295800D+00  0.220721D+00 -0.345937D+01
      2  -0.389547D-01 -0.201074D-01  0.525022D+00 -0.857196D+00  0.306587D+01
      3  -0.106332D+01  0.626518D+00  0.272037D+00  0.450352D+01 -0.100246D+02
               141           142           143           144           145 
      1  -0.657482D+01  0.591970D+00 -0.371691D+01 -0.687169D+01  0.377929D+01
      2   0.245677D+01 -0.235532D+01  0.335118D+01  0.354968D+01 -0.747532D+01
      3  -0.435335D+01  0.259933D+01 -0.575489D+01 -0.548274D+01  0.816488D+01
               146           147           148           149           150 
      1   0.574244D+01 -0.134883D+01  0.490242D+01  0.887158D+01 -0.187243D+01
      2  -0.494190D+01 -0.130273D+01 -0.597366D+01 -0.789662D+01 -0.179833D+01
      3   0.542346D+01  0.122082D+01  0.889582D+01  0.102585D+02  0.259619D+01
               151           152           153           154           155 
      1  -0.824977D+00  0.981555D+00  0.125261D+01 -0.370204D+01  0.556337D+01
      2  -0.156491D+01 -0.843501D+00 -0.915546D+00 -0.847657D+01  0.359155D+01
      3  -0.101139D+01 -0.876651D-01  0.138831D+01 -0.427930D+00  0.469557D+00
               156           157           158           159           160 
      1  -0.210724D+01  0.451685D+01 -0.824913D+01  0.226464D+01 -0.217554D+01
      2  -0.352902D+01  0.600080D+01 -0.562241D+01  0.533641D+01 -0.492528D+01
      3   0.365449D-01  0.263044D+01 -0.128154D+01  0.993027D+00 -0.500324D+00
               161           162           163           164           165 
      1   0.473189D+01 -0.385635D+01 -0.871500D+00 -0.210405D+01  0.219138D+01
      2   0.352830D+01 -0.516953D+01  0.364283D+01  0.319431D+00  0.402900D+01
      3   0.357305D+00 -0.107045D+01 -0.206183D+01 -0.284965D+01  0.286602D+00
               166           167           168           169           170 
      1  -0.124968D+00  0.111261D+01  0.317346D-01  0.970122D+00  0.278136D+01
      2  -0.116672D+01 -0.154135D+01 -0.273989D-01 -0.330588D+01  0.474851D-01
      3   0.639507D+00  0.196440D+01  0.130851D+01  0.176773D+01  0.181037D+01
               171           172           173           174           175 
      1  -0.265853D+01  0.258884D+01  0.111208D+01  0.422058D+01  0.677819D+00
      2  -0.322195D+01  0.278343D+01  0.574795D+00  0.672177D+01  0.876508D+00
      3  -0.727832D+00 -0.242232D+01 -0.105927D+01 -0.313576D+01  0.219958D+00
               176           177           178           179           180 
      1   0.243556D+01  0.179507D+01  0.492444D+01  0.421886D+01  0.117003D+02
      2   0.227865D+01  0.391169D+01  0.468412D+01  0.817703D-01  0.191044D+02
      3  -0.177212D+01 -0.304516D+01 -0.351365D+01 -0.569361D+01 -0.458344D+01
               181           182           183           184           185 
      1  -0.959517D+00 -0.582788D+00 -0.197599D+01 -0.381412D+00 -0.253841D+01
      2   0.137407D+01  0.297094D+01 -0.731504D+00  0.234129D+01  0.407624D+01
      3   0.926183D+01  0.127764D+02 -0.228972D+01  0.940460D+01  0.254892D+02
               186           187           188           189           190 
      1  -0.398692D+01  0.288702D+00  0.459012D-01  0.127865D+01 -0.543391D+01
      2  -0.283749D+01 -0.630230D+00 -0.290216D+01  0.209822D+01 -0.933239D+01
      3  -0.413953D+01 -0.151075D+01 -0.312169D+01  0.283633D+01 -0.383501D+01
               191           192           193           194           195 
      1   0.227325D+01  0.498514D+01  0.246753D+01 -0.198067D+01 -0.210556D+01
      2   0.442370D+01  0.985894D+01  0.376885D+01 -0.297097D+01 -0.226524D+01
      3  -0.363269D+01  0.705568D+00  0.124389D+00  0.418463D+01  0.372297D+00
               196           197           198           199           200 
      1   0.448122D+01 -0.727821D+00 -0.364896D+01  0.337760D+00 -0.117470D+01
      2   0.753548D+01 -0.308178D+01 -0.717087D+01 -0.390759D+00  0.125482D+01
      3   0.896064D+00  0.389389D+01 -0.116580D+01  0.130535D+00  0.403090D-03
               201           202           203           204           205 
      1  -0.561032D+00 -0.213323D+01 -0.526312D+01 -0.196413D+01 -0.578392D+01
      2  -0.461756D+00  0.244925D+01  0.875046D+00  0.790551D+00 -0.305322D+01
      3   0.644470D-01  0.364575D+01 -0.273518D+01  0.181626D+00 -0.158920D+01
               206           207           208           209           210 
      1   0.223225D+01 -0.878824D+00  0.103212D+01  0.783166D-02 -0.142871D+00
      2   0.129569D+00  0.496946D+00  0.223658D+01 -0.371644D+00  0.350673D+00
      3   0.658666D+00 -0.867090D+00  0.357227D+01  0.416669D+00 -0.979287D-01
               211           212           213           214           215 
      1  -0.449541D+00  0.770082D+00 -0.369747D+01 -0.228737D+01  0.379540D+00
      2  -0.223871D+00  0.309164D+01 -0.227251D+01 -0.385210D+01 -0.191742D+01
      3   0.608978D+01  0.135564D+02 -0.244511D+01 -0.227604D+01 -0.304925D+01
               216           217           218           219           220 
      1   0.488048D+00 -0.184468D+00 -0.475396D+00  0.155097D+01 -0.120987D+01
      2   0.622965D+00 -0.130928D+01  0.907045D+00 -0.198644D+01  0.166084D+01
      3   0.167808D+01 -0.866105D+00  0.302307D+01 -0.176861D+01  0.112383D+01
               221           222           223           224           225 
      1   0.998851D+00 -0.275929D+01 -0.159307D+01 -0.291655D+01  0.120915D+02
      2  -0.326018D+01  0.445056D+01 -0.393906D-05  0.831654D+01 -0.230089D+02
      3  -0.530371D+01  0.347504D+01 -0.462586D+00  0.697594D+01 -0.866996D+01
               226           227           228           229           230 
      1  -0.210655D+01 -0.583445D+00 -0.242550D+01 -0.651031D+00 -0.628733D+00
      2   0.526802D+01  0.153785D+01  0.694903D+01  0.113663D+01  0.136295D+01
      3   0.398819D+01 -0.565596D+01  0.606963D+00  0.794798D+00 -0.924651D+00
               231           232           233           234           235 
      1  -0.140793D+01 -0.108541D+01 -0.194027D-01 -0.411755D+00 -0.683888D+00
      2   0.154218D+01  0.300896D+01  0.195727D+01  0.122390D+01  0.340071D+01
      3  -0.883680D+00  0.413052D+00 -0.205880D+01 -0.120920D+01 -0.596032D+01
               236           237           238           239           240 
      1   0.331693D+01  0.305529D+01  0.183394D+01 -0.437959D+01 -0.447032D+01
      2  -0.291692D+01 -0.325958D+01 -0.158219D+01  0.538349D+01  0.521629D+01
      3   0.113600D+02  0.465562D+01  0.694087D+01 -0.172951D+02 -0.631870D+01
               241           242           243 
      1   0.366461D+00 -0.405117D+01 -0.406144D+01
      2  -0.193058D+01  0.721421D+01  0.546975D+01
      3   0.379140D+01 -0.102797D+02 -0.881426D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.624092D+01  0.662235D+01  0.830240D+01  0.375066D+01  0.185794D+02
      2   0.500831D+01 -0.187129D+02 -0.113618D+02 -0.151100D+02 -0.105374D+02
      3  -0.112492D+02  0.120906D+02  0.305937D+01  0.113594D+02 -0.804204D+01
      4   0.772213D+01  0.670252D+01 -0.124361D+02  0.827103D+01 -0.270504D+01
      5   0.209667D+02 -0.124080D+02 -0.238002D+02 -0.125642D+02 -0.242199D+01
      6  -0.824733D+01 -0.699258D+01  0.111999D+02 -0.729892D+01 -0.612861D+01
                 6             7             8             9            10 
      1  -0.879543D+01  0.434355D+01 -0.109272D+02 -0.168284D+02 -0.241499D+01
      2  -0.475584D+00 -0.866890D+01  0.141967D+01  0.856371D+01 -0.788637D+00
      3   0.927101D+01  0.432535D+01  0.950756D+01  0.826474D+01  0.320362D+01
      4   0.743775D+01 -0.145413D+02  0.765784D+01  0.401330D+01 -0.142199D+02
      5   0.146742D+01 -0.236670D+02  0.591771D+01  0.872986D+01 -0.107199D+02
      6  -0.349059D+01  0.112506D+02 -0.324004D+01  0.547351D+01  0.755545D+01
                11            12            13            14            15 
      1  -0.892713D+01 -0.146373D+01 -0.340215D+00 -0.244973D+02  0.817381D+01
      2   0.117725D+02  0.118956D+01  0.240099D+01  0.115295D+02 -0.162962D+01
      3  -0.284541D+01  0.274171D+00 -0.206077D+01  0.129678D+02 -0.654418D+01
      4  -0.113826D+02  0.109950D+02 -0.168854D+02 -0.171368D+02 -0.680586D+01
      5   0.102874D+02  0.144608D+02  0.125368D+02 -0.245174D+01  0.573553D+01
      6  -0.726070D+01 -0.198709D+01 -0.249757D+01  0.101596D+02 -0.902861D+00
                16            17            18            19            20 
      1  -0.176111D+01  0.128408D+02  0.143063D+02  0.368231D+02  0.718810D+01
      2  -0.522836D+01 -0.376390D+01 -0.108611D+02 -0.166366D+02 -0.900986D+01
      3   0.698947D+01 -0.907691D+01 -0.344520D+01 -0.201865D+02  0.182176D+01
      4   0.161616D+02 -0.130947D+02  0.118510D+01  0.943835D+01 -0.593142D+01
      5   0.220764D+02  0.104883D+01  0.875332D+01 -0.702797D+01 -0.190339D+01
      6  -0.313159D+01 -0.360407D+00 -0.755524D+01 -0.749372D+01 -0.870320D+00
                21            22            23            24            25 
      1   0.473176D+01  0.227791D+01  0.213146D+01 -0.285001D+01  0.189941D+02
      2   0.191544D+01 -0.360727D+01 -0.510541D+01  0.613784D+00  0.686417D+01
      3  -0.664720D+01  0.132936D+01  0.297395D+01  0.223623D+01 -0.258583D+02
      4  -0.413456D+01 -0.515974D+01 -0.146667D+01  0.394221D+01 -0.112640D+02
      5  -0.603995D+01 -0.510886D+01  0.774071D+00  0.423701D+01 -0.158845D+02
      6   0.190143D+00 -0.166666D+01 -0.375258D+01  0.264578D+01 -0.179403D+01
                26            27            28            29            30 
      1  -0.764174D+01  0.111585D+02 -0.111090D+03  0.100719D+02 -0.120076D+02
      2   0.395854D+01  0.127411D+02  0.459709D+02 -0.580813D+01  0.471318D+01
      3   0.368320D+01 -0.238997D+02  0.651191D+02 -0.426374D+01  0.729437D+01
      4   0.887192D+01  0.165019D+01  0.172001D+02 -0.943907D+01  0.986951D+00
      5   0.462757D+01 -0.149137D+02 -0.747284D+00 -0.107378D+01 -0.931048D+01
      6   0.364442D+01  0.117956D+01  0.791912D+01  0.248702D+01  0.168597D+01
                31            32            33            34            35 
      1   0.439080D+02 -0.664960D+01  0.151204D+01 -0.390081D+02 -0.139482D+01
      2  -0.210183D+02  0.253034D+01  0.563673D+00  0.115570D+02  0.306812D+01
      3  -0.228897D+02  0.411926D+01 -0.207571D+01  0.274511D+02 -0.167330D+01
      4  -0.145727D+02 -0.264227D+01  0.807736D+00  0.685619D+01 -0.341959D+01
      5   0.663537D+01  0.202456D+01  0.188147D+01 -0.647371D+01  0.294123D+00
      6   0.125571D+01  0.839119D+01 -0.102593D+01  0.510670D+00  0.343623D+01
                36            37            38            39            40 
      1  -0.285410D+02  0.158460D+03 -0.240726D+02  0.278490D+02 -0.209362D+02
      2  -0.531558D-01 -0.686673D+02  0.108470D+02 -0.988258D+01  0.664911D+01
      3   0.285941D+02 -0.897927D+02  0.132256D+02 -0.179664D+02  0.142871D+02
      4   0.429159D+01 -0.450194D+02  0.142805D+02 -0.504209D+01  0.164926D+02
      5  -0.122209D+02  0.206559D+02 -0.149225D+01  0.187445D+02  0.282884D+01
      6   0.357138D+01 -0.909180D+01 -0.136445D+01 -0.246876D+01 -0.110681D+01
                41            42            43            44            45 
      1   0.126493D+02 -0.757602D+01  0.384870D+02 -0.910002D+01  0.704065D+01
      2  -0.109447D+02  0.255134D+01 -0.173221D+02  0.743288D+01 -0.680656D+01
      3  -0.170465D+01  0.502468D+01 -0.211649D+02  0.166714D+01 -0.234082D+00
      4   0.127888D+02 -0.482630D+01 -0.605983D+01 -0.631129D+01 -0.596679D+01
      5  -0.650662D+01 -0.236203D+01  0.268012D+02 -0.621198D+01  0.569461D+01
      6   0.378621D+01  0.380396D+01 -0.840451D+01  0.636281D+01  0.723496D+00
                46            47            48            49            50 
      1  -0.141135D+03  0.355382D+02 -0.240138D+02  0.502685D+02 -0.220079D+02
      2   0.634416D+02 -0.160266D+02  0.131810D+02 -0.316062D+02  0.366981D+01
      3   0.776939D+02 -0.195116D+02  0.108327D+02 -0.186623D+02  0.183380D+02
      4   0.648214D+02 -0.337675D+02  0.153423D+02 -0.349548D+02 -0.119335D+02
      5  -0.375393D+02  0.114573D+02 -0.223043D+02  0.212750D+02 -0.117194D+01
      6   0.149647D+02 -0.597676D+01  0.180171D+01  0.746541D+00  0.435954D+01
                51            52            53            54            55 
      1   0.131574D+02 -0.479664D+02  0.119267D+02 -0.141982D+02  0.154580D+03
      2  -0.109040D+02  0.230365D+02 -0.276628D+01  0.283488D+01 -0.750916D+02
      3  -0.225331D+01  0.249298D+02 -0.916039D+01  0.113633D+02 -0.794880D+02
      4  -0.832009D+00  0.267262D+02 -0.322962D+01  0.761461D+01 -0.642759D+02
      5   0.311100D+01 -0.741976D+01  0.555708D+01 -0.112091D+02  0.328454D+02
      6  -0.655263D+01  0.583683D+00  0.226535D+01  0.447299D+01 -0.763013D+01
                56            57            58            59            60 
      1  -0.381670D+02  0.242715D+02 -0.904002D+02  0.285091D+02 -0.128472D+02
      2   0.138452D+02 -0.147547D+02  0.371489D+02 -0.179985D+01  0.742443D+01
      3   0.243218D+02 -0.951682D+01  0.532513D+02 -0.267092D+02  0.542275D+01
      4   0.419030D+02 -0.118910D+02  0.668679D+02 -0.477792D+02  0.141766D+02
      5  -0.995072D+01  0.280236D+02 -0.217994D+02  0.117310D+02 -0.158605D+02
      6   0.404939D+01 -0.566893D+01  0.833419D+01 -0.605354D+01  0.113179D+02
                61            62            63            64            65 
      1   0.438288D+02 -0.543159D+01  0.244905D+02 -0.238576D+02  0.275834D+02
      2  -0.255307D+02  0.395222D+01 -0.186587D+02  0.726535D+01 -0.246817D+02
      3  -0.182981D+02  0.147937D+01 -0.583179D+01  0.165923D+02 -0.290163D+01
      4  -0.178371D+02  0.106900D+02 -0.211352D+02  0.226714D+02  0.593455D+01
      5   0.464910D+02 -0.198070D+02  0.296325D+02  0.137730D+02 -0.146759D+02
      6  -0.902113D+01  0.111377D+02 -0.809063D+01 -0.977345D+01  0.138714D+02
                66            67            68            69            70 
      1   0.980835D+01  0.207577D+02  0.270591D+02 -0.170237D+02  0.162932D+02
      2   0.535671D+01 -0.166170D+02 -0.241644D+02  0.106836D+02  0.471462D+01
      3  -0.151651D+02 -0.414075D+01 -0.289471D+01  0.634004D+01 -0.210079D+02
      4  -0.190784D+02  0.728061D+01  0.254986D+01  0.927142D+01 -0.241023D+02
      5  -0.174172D+02 -0.161403D+02  0.736958D+01 -0.998507D+01 -0.234362D+02
      6   0.612877D+01  0.114681D+02  0.149370D+00  0.321480D+01  0.825735D+01
                71            72            73            74            75 
      1  -0.194758D+02 -0.219517D+02 -0.222953D+01 -0.127782D+02 -0.194715D+02
      2   0.102111D+02  0.228584D+02  0.986340D+00  0.984066D+01  0.117622D+02
      3   0.926478D+01 -0.906637D+00  0.124319D+01  0.293751D+01  0.770928D+01
      4   0.127163D+02  0.225310D+01 -0.123695D+02  0.465517D+01 -0.105875D+01
      5  -0.428685D+01 -0.278809D+02 -0.938556D+01  0.318649D+01 -0.212702D+02
      6   0.332721D+01  0.663696D+01 -0.324963D+01  0.648440D+01 -0.656382D+01
                76            77            78            79            80 
      1  -0.162289D+02  0.153877D+02  0.680750D+01 -0.205873D+02  0.195314D+01
      2   0.161824D+02 -0.125276D+01 -0.489785D+01  0.121303D+02 -0.148889D+01
      3   0.464856D-01 -0.141350D+02 -0.190965D+01  0.845698D+01 -0.464254D+00
      4   0.122624D+02  0.323420D+02  0.414728D+01  0.468767D+01  0.883609D+01
      5   0.100358D+02 -0.154154D+01 -0.110778D+02 -0.348145D+02 -0.147148D+02
      6   0.314797D+01 -0.585676D+00 -0.401392D+01 -0.125744D+02 -0.540279D+01
                81            82            83            84            85 
      1  -0.225612D+02 -0.169577D+02 -0.124018D+01  0.137652D+02  0.141762D+01
      2   0.152320D+02  0.151876D+02  0.656544D+01 -0.134155D+02  0.238108D+01
      3   0.732924D+01  0.177013D+01 -0.532526D+01 -0.349705D+00 -0.379871D+01
      4  -0.193559D+02  0.560533D+00  0.979104D+01  0.243634D+01  0.907018D+01
      5   0.973616D+01  0.619578D+01 -0.262193D+01  0.160619D+01 -0.567680D+01
      6   0.792380D+01  0.903141D+01 -0.635359D+01  0.292162D+01 -0.366510D+01
                86            87            88            89            90 
      1   0.104693D+02  0.457761D+01  0.160701D+02  0.102785D+02  0.141341D+02
      2  -0.591800D+01 -0.829275D+01 -0.152670D+02 -0.163943D+02 -0.160861D+02
      3  -0.455129D+01  0.371514D+01 -0.803161D+00  0.611581D+01  0.195203D+01
      4  -0.340873D+01 -0.118489D+02  0.116811D+01 -0.170021D+02 -0.259584D+01
      5  -0.602381D+01 -0.310508D+01  0.359299D+01 -0.487591D+01 -0.350499D+00
      6  -0.166381D+02 -0.133847D+02  0.347887D+01 -0.185398D+02 -0.270795D+01
                91            92            93            94            95 
      1  -0.565730D+02 -0.285653D+02 -0.141585D+02 -0.107919D+02  0.176124D+02
      2   0.242764D+02  0.224093D+02  0.108456D+02  0.127935D+02 -0.286838D+01
      3   0.322967D+02  0.615603D+01  0.331293D+01 -0.200153D+01 -0.147440D+02
      4  -0.249437D+02  0.156890D+02 -0.496227D+01  0.195444D+02  0.151552D+02
      5  -0.123630D+02 -0.221366D+01  0.125569D+02 -0.165392D+01 -0.767690D+01
      6  -0.605380D+01  0.199802D+01  0.740209D+01 -0.482733D+00 -0.857500D+01
                96            97            98            99           100 
      1   0.333862D+01 -0.214446D+02  0.613533D+00  0.195970D+02  0.502780D+02
      2  -0.727533D+01  0.116732D+02 -0.100802D+02 -0.856789D+01 -0.260475D+02
      3   0.393670D+01  0.977144D+01  0.946664D+01 -0.110291D+02 -0.242305D+02
      4  -0.618342D+01 -0.624636D+01 -0.510060D+01 -0.124743D+02  0.224187D+02
      5  -0.902371D+01  0.490010D+01 -0.148128D+02  0.242803D+02  0.220939D+02
      6  -0.292138D+01  0.269241D+01 -0.106739D+02  0.126570D+02  0.512365D+01
               101           102           103           104           105 
      1   0.894808D+01  0.182314D+02  0.287562D+01  0.422706D+01 -0.617967D+00
      2  -0.254998D+01 -0.102074D+02  0.318947D+00 -0.103345D+01  0.162359D+01
      3  -0.639809D+01 -0.802400D+01 -0.319456D+01 -0.319361D+01 -0.100562D+01
      4   0.133262D+02  0.723978D+01  0.102624D+02  0.398544D+01  0.503951D+01
      5   0.338399D+01  0.186456D+02  0.128895D+01  0.513441D+01  0.290597D+01
      6   0.187066D+01  0.522222D+01  0.224700D+01  0.225249D+01  0.378968D+01
               106           107           108           109           110 
      1   0.305965D+02  0.289226D+01  0.161693D+02  0.221428D+02  0.793915D+01
      2  -0.174889D+02  0.746924D+00 -0.124692D+02 -0.125862D+02 -0.354152D+01
      3  -0.131076D+02 -0.363919D+01 -0.370006D+01 -0.955660D+01 -0.439763D+01
      4   0.136039D+02  0.110158D+02  0.112803D+02  0.169458D+02  0.105905D+02
      5   0.249584D+02  0.709290D+01  0.204759D+02 -0.161638D+02 -0.679124D+01
      6   0.704797D+01  0.473700D+01  0.611206D+01 -0.700313D+01 -0.422333D+01
               111           112           113           114           115 
      1  -0.770859D+01  0.679529D+01 -0.927438D+00 -0.104440D+01 -0.169840D+02
      2   0.536489D+01 -0.220808D+01  0.387443D+01 -0.837042D+00  0.123173D+02
      3   0.234370D+01 -0.458721D+01 -0.294700D+01  0.188144D+01  0.466665D+01
      4  -0.858143D+01  0.129168D+02  0.102960D+02 -0.105089D+02 -0.191076D+02
      5   0.177104D+02 -0.745419D+01 -0.915001D+01  0.892704D+01  0.306224D+02
      6   0.613004D+01 -0.597790D+01 -0.675253D+01  0.825569D+01  0.128420D+02
               116           117           118           119           120 
      1  -0.233152D+01  0.845478D+01 -0.883597D+00  0.107155D+00 -0.134124D+01
      2  -0.502858D+00 -0.135398D+02 -0.545012D+01  0.970259D+00 -0.415298D+01
      3   0.283437D+01  0.508505D+01  0.633372D+01 -0.107741D+01  0.549422D+01
      4  -0.184780D+02  0.182585D+02 -0.396862D+00  0.404369D+01  0.432258D+00
      5   0.143017D+02 -0.351348D+02  0.809266D+01 -0.892702D+00  0.116068D+02
      6   0.113157D+02 -0.167261D+02  0.283087D+00  0.140471D+01  0.135524D+00
               121           122           123           124           125 
      1   0.580898D+01 -0.448004D+01  0.277126D+01 -0.818153D+01  0.465051D+00
      2  -0.151277D+01 -0.296791D+00  0.118917D+01 -0.562070D+01  0.327037D+01
      3  -0.429621D+01  0.477683D+01 -0.396043D+01  0.138022D+02 -0.373542D+01
      4   0.377257D+01  0.430894D+00  0.284861D+01  0.117337D+01  0.407346D+01
      5  -0.145835D+01  0.299145D+01 -0.205225D+01  0.164512D+02 -0.264543D+01
      6   0.158273D+01 -0.161157D+01  0.669813D+01  0.146677D+01  0.489983D+01
               126           127           128           129           130 
      1  -0.232179D+02 -0.309842D+01  0.758231D+01 -0.524901D+01  0.455044D+01
      2  -0.182627D+02  0.290211D+01 -0.980726D+01  0.476165D+01 -0.525029D+01
      3   0.414805D+02  0.196308D+00  0.222496D+01  0.487361D+00  0.699852D+00
      4  -0.530167D+00 -0.512923D+01  0.311329D+00 -0.224033D+01  0.222192D+01
      5   0.225315D+02 -0.359510D+00  0.544303D+00 -0.782922D+00  0.325048D+00
      6   0.589604D+00 -0.551671D+01  0.375863D+01 -0.562394D+01  0.255150D+01
               131           132           133           134           135 
      1  -0.128279D+02  0.477107D+01 -0.873480D+01  0.952935D+01 -0.131226D+02
      2   0.153256D+02 -0.483078D+01  0.600381D+01 -0.109021D+02  0.880702D+01
      3  -0.249768D+01  0.597123D-01  0.273099D+01  0.137276D+01  0.431556D+01
      4   0.330762D+00  0.794618D+00 -0.505938D+01 -0.895608D+00 -0.775428D+00
      5  -0.803473D+00  0.165710D+01 -0.282301D-01  0.243407D+01 -0.409130D+01
      6  -0.461963D+01  0.855639D+01 -0.439549D+01  0.111312D+02 -0.126553D+02
               136           137           138           139           140 
      1  -0.775793D+00  0.343057D+01  0.455673D+00  0.238478D+01 -0.299552D+02
      2   0.229616D+01 -0.182823D+01  0.492742D+00  0.313120D+00  0.402149D+02
      3  -0.152037D+01 -0.160235D+01 -0.948415D+00 -0.269790D+01 -0.102597D+02
      4   0.504937D+01  0.750929D+01  0.326316D+01  0.815940D+01  0.200192D+02
      5   0.103911D+01  0.304246D+01  0.356324D+01  0.252713D+01  0.853013D+01
      6   0.331491D+01  0.103312D+01 -0.166611D+00  0.162316D+01  0.256148D+02
               141           142           143           144           145 
      1  -0.143015D+02  0.263782D+00 -0.206673D+02 -0.175669D+02 -0.754093D+01
      2   0.156933D+02  0.199311D+01  0.221616D+02  0.122960D+02  0.663727D+01
      3  -0.139181D+01 -0.225690D+01 -0.149432D+01  0.527087D+01  0.903657D+00
      4   0.916470D+01  0.542314D+01  0.141030D+02  0.873892D+01  0.265008D+01
      5   0.596533D+01  0.340293D+01  0.919197D+01  0.822601D+01  0.366090D+01
      6   0.186172D+02  0.896014D+00  0.243806D+02  0.210287D+02  0.572546D+01
               146           147           148           149           150 
      1  -0.105677D+02 -0.645012D+01 -0.852189D+01 -0.211278D+02 -0.677745D+01
      2   0.117953D+02  0.165171D+01  0.100498D+02  0.243067D+02  0.170328D+01
      3  -0.122762D+01  0.479841D+01 -0.152787D+01 -0.317891D+01  0.507417D+01
      4  -0.184130D+00  0.115629D+01  0.262250D+01 -0.616295D+01 -0.224110D+01
      5   0.431371D+01  0.228283D+01  0.641881D+01  0.248069D+01 -0.243322D+01
      6   0.964217D+01  0.384079D+01  0.663544D+01  0.172907D+02  0.932966D+01
               151           152           153           154           155 
      1  -0.170134D+01 -0.853954D+00 -0.237488D+01 -0.614200D+01  0.252520D+01
      2  -0.165043D+00 -0.169270D+01  0.791469D+00 -0.159059D+01  0.300428D+01
      3   0.186639D+01  0.254665D+01  0.158341D+01  0.773260D+01 -0.552948D+01
      4   0.115249D+01  0.256095D+00 -0.510191D+00  0.255746D+01 -0.308952D+01
      5   0.294401D+01 -0.338155D+00 -0.494523D-01  0.204378D+01 -0.644994D+00
      6   0.159948D+01  0.511648D+01  0.192743D+01 -0.224298D+01  0.561429D+01
               156           157           158           159           160 
      1  -0.902254D+01  0.445175D+01 -0.890922D+01  0.101456D+02 -0.504019D+01
      2  -0.225404D+01  0.120019D+01  0.175193D+01  0.459051D+01 -0.131388D+01
      3   0.112766D+02 -0.565194D+01  0.715729D+01 -0.147361D+02  0.635407D+01
      4   0.307562D+01 -0.307469D+01  0.719350D+01 -0.413926D+01  0.311532D+01
      5   0.298345D+01 -0.220778D+01  0.391213D+00  0.396014D+01  0.532264D+01
      6  -0.275664D+01  0.403373D+01 -0.874144D+01  0.576959D+01 -0.316261D+01
               161           162           163           164           165 
      1   0.587422D+01 -0.994459D+01  0.164815D+02 -0.158254D+01 -0.313148D+01
      2   0.248058D+01 -0.662222D+01 -0.173482D+02  0.283614D+01  0.151191D+02
      3  -0.835480D+01  0.165668D+02  0.866704D+00 -0.125360D+01 -0.119877D+02
      4  -0.331876D+01  0.342893D+01 -0.131052D+02  0.102108D+02  0.975640D+01
      5  -0.291790D+00 -0.226755D+01 -0.323310D+02  0.102743D+02  0.307909D+02
      6   0.639139D+01 -0.438954D+01  0.830302D+01 -0.758883D+01 -0.979106D+01
               166           167           168           169           170 
      1  -0.116896D+01 -0.183052D+01 -0.142581D+01 -0.405062D+01 -0.111495D+01
      2   0.187660D+01  0.564870D+00 -0.644071D+00  0.123149D+02 -0.168951D+01
      3  -0.707635D+00  0.126565D+01  0.206988D+01 -0.826432D+01  0.280446D+01
      4   0.733623D+01 -0.589752D+01 -0.692497D+01  0.820070D+01 -0.653632D+01
      5   0.630290D+01 -0.707812D+01 -0.616278D+01  0.241961D+02 -0.829057D+01
      6  -0.478522D+01  0.609916D+01  0.792847D+01 -0.745163D+01  0.776434D+01
               171           172           173           174           175 
      1  -0.305292D+01  0.157471D+02 -0.229176D+01  0.907738D+01  0.478608D+01
      2  -0.161976D+02 -0.113573D+02  0.977547D+00 -0.102516D+02 -0.347315D+01
      3   0.192505D+02 -0.438972D+01  0.131422D+01  0.117425D+01 -0.131294D+01
      4  -0.831420D+01 -0.607491D+01  0.381743D+01 -0.138317D+01  0.938449D+00
      5  -0.285691D+02  0.139791D+02  0.885754D+00  0.189209D+02  0.613447D+01
      6   0.106083D+02 -0.297373D+01  0.308358D+00 -0.572412D+01 -0.305951D+00
               176           177           178           179           180 
      1  -0.183863D+01  0.434039D+01  0.140012D+02  0.268562D+01  0.800395D+01
      2   0.954699D-01 -0.690785D+01 -0.143369D+02 -0.507850D+01 -0.234427D+02
      3   0.174316D+01  0.256746D+01  0.335697D+00  0.239288D+01  0.154388D+02
      4   0.369953D+01  0.406538D+01 -0.531264D+01  0.922184D+01 -0.495342D+01
      5   0.437759D+01  0.865943D+01  0.260074D+02 -0.118964D+01  0.451369D+02
      6   0.333343D+00  0.176428D+01 -0.789830D+01  0.563561D+01 -0.161985D+02
               181           182           183           184           185 
      1  -0.835773D+01 -0.199375D+02  0.233578D+01 -0.149587D+02 -0.329435D+02
      2   0.851111D+01  0.223057D+02 -0.249657D+01  0.111284D+02  0.451523D+02
      3  -0.153384D+00 -0.236818D+01  0.160795D+00  0.383024D+01 -0.122088D+02
      4   0.103871D+01 -0.714562D+01  0.326365D+01  0.549099D+01 -0.266127D+02
      5  -0.293772D+01  0.167618D+01 -0.117861D+01 -0.106208D+01  0.231417D+01
      6  -0.106332D+01 -0.627144D+01  0.471147D+01 -0.252430D+01 -0.117406D+02
               186           187           188           189           190 
      1   0.646891D+01 -0.862800D-02  0.622869D+01 -0.340623D+01  0.595016D+02
      2  -0.567568D+01 -0.142424D+01 -0.440555D+01  0.241809D+01 -0.234000D+02
      3  -0.793224D+00  0.143287D+01 -0.182314D+01  0.988140D+00 -0.361016D+02
      4   0.342172D+01  0.205596D+01  0.123034D+01 -0.321165D+01 -0.393589D+02
      5  -0.458359D+01  0.306285D+01 -0.336133D+01  0.425427D+01 -0.134278D+02
      6   0.874479D+01  0.800773D+00  0.782823D+01 -0.409309D+01  0.673764D+01
               191           192           193           194           195 
      1  -0.186188D+02 -0.136932D+02 -0.118022D+02  0.477128D+01  0.380251D+01
      2   0.313990D+01  0.430854D+01  0.480673D+00  0.511010D+01 -0.119039D-01
      3   0.154789D+02  0.938467D+01  0.113215D+02 -0.988137D+01 -0.379061D+01
      4   0.237566D+02  0.974850D+01  0.191159D+02 -0.162823D+02 -0.644518D+01
      5   0.539704D+01  0.153137D+02  0.425079D+01 -0.464868D+01 -0.257233D+01
      6  -0.366503D+01 -0.726114D+01 -0.352741D+01  0.183720D+01  0.348275D+01
               196           197           198           199           200 
      1  -0.270426D+02  0.844844D+01  0.117916D+02  0.398131D+00  0.164985D+01
      2   0.939992D+01  0.342870D+00 -0.724789D+01 -0.791607D+00 -0.135048D+00
      3   0.176427D+02 -0.879131D+01 -0.454374D+01  0.393477D+00 -0.151480D+01
      4   0.213782D+02 -0.167378D+02 -0.931811D+01  0.364916D+01  0.505890D+01
      5   0.172410D+02 -0.634082D+01 -0.121104D+02 -0.112078D+01 -0.188292D+01
      6  -0.810738D+01  0.454846D+01  0.658838D+01 -0.224307D+01 -0.617693D+00
               201           202           203           204           205 
      1  -0.131149D+01  0.314263D+01 -0.126972D+02  0.595248D+01 -0.143958D+01
      2   0.538603D+00 -0.104320D+01  0.127974D+02 -0.228156D+01  0.284957D+01
      3   0.772891D+00 -0.209944D+01 -0.100194D+00 -0.367092D+01 -0.140999D+01
      4  -0.103563D+01  0.550573D+01  0.887706D+01 -0.290096D+01 -0.114959D+01
      5   0.122398D+01 -0.238293D+01 -0.369784D+01  0.260939D+01  0.191743D+01
      6   0.450027D+00 -0.685965D+00 -0.106081D+02  0.648291D+01  0.202126D+01
               206           207           208           209           210 
      1   0.473872D+01 -0.137164D+01 -0.261622D+00 -0.148834D+01  0.401173D+00
      2  -0.243994D+01  0.600346D+00  0.222542D+01  0.907820D+00 -0.152832D+00
      3  -0.229877D+01  0.771298D+00 -0.196380D+01  0.580519D+00 -0.248341D+00
      4  -0.131565D+01  0.509442D+00 -0.138262D+01  0.509842D+01 -0.105234D+01
      5   0.169424D+01 -0.399625D+00  0.102715D+01 -0.529675D+00  0.698748D+00
      6   0.450341D+01 -0.356831D+01 -0.596727D+00  0.112804D+01 -0.128329D+00
               211           212           213           214           215 
      1  -0.543300D+01 -0.203386D+02  0.308698D+01  0.262898D+01  0.483370D+01
      2   0.253368D+01  0.262252D+02 -0.292649D+01 -0.325063D+00 -0.517824D+01
      3   0.289932D+01 -0.588664D+01 -0.160493D+00 -0.230392D+01  0.344534D+00
      4   0.369580D+01 -0.196657D+02  0.290113D+01 -0.161082D+01  0.509406D+01
      5  -0.539012D+00  0.216207D+01 -0.268797D+01 -0.861569D+00 -0.224064D+01
      6   0.488519D+00 -0.166326D+01  0.505543D+01  0.159533D+01  0.364606D+01
               216           217           218           219           220 
      1  -0.395055D+01  0.479576D+01  0.628920D+01 -0.585626D+01  0.472985D+01
      2   0.300956D+01 -0.348163D+01 -0.476725D+01  0.188419D+01 -0.235408D+01
      3   0.940997D+00 -0.131413D+01 -0.152195D+01  0.397206D+01 -0.237577D+01
      4  -0.272818D+01  0.206285D+01 -0.339986D+01 -0.923597D+00  0.284804D+01
      5   0.169062D+01 -0.277820D+01  0.473335D+00 -0.843829D+00 -0.277220D+00
      6  -0.224673D+01 -0.211925D+01  0.121831D+01 -0.275179D+01 -0.820079D+00
               221           222           223           224           225 
      1  -0.785014D+01  0.456102D+01 -0.964049D+01  0.501235D+01 -0.165024D+02
      2   0.659483D+01 -0.356974D+01  0.506295D+01 -0.314432D+01 -0.373402D+01
      3   0.125530D+01 -0.991284D+00  0.457754D+01 -0.186802D+01  0.202364D+02
      4   0.825871D+01 -0.596858D+01 -0.100958D+02 -0.162067D+02  0.138090D+02
      5  -0.645479D+01  0.863345D+01  0.906977D+01  0.158638D+02 -0.430340D+02
      6  -0.539909D+01  0.942084D+01  0.305069D+01  0.135228D+02 -0.230377D+02
               226           227           228           229           230 
      1   0.851038D+02  0.199716D+02  0.585762D+01  0.749805D+01  0.742094D+01
      2  -0.386836D+02 -0.508646D+01 -0.254912D+01  0.377105D+00 -0.150086D+00
      3  -0.464202D+02 -0.148852D+02 -0.330851D+01 -0.787515D+01 -0.727086D+01
      4   0.425653D+02  0.235128D+02  0.326336D+01  0.146706D+02  0.939836D+01
      5   0.308882D+01  0.110371D+01  0.129755D+02  0.750633D+00  0.187371D+01
      6   0.289793D+01  0.583257D+00  0.452214D+01  0.807505D-02  0.106507D+01
               231           232           233           234           235 
      1   0.309394D+00  0.125651D+02  0.273808D+01  0.719343D+01 -0.585212D+01
      2   0.942591D+00 -0.616246D+01  0.258822D+00 -0.441529D+01  0.552153D+01
      3  -0.125199D+01 -0.640263D+01 -0.299691D+01 -0.277815D+01  0.330587D+00
      4   0.226242D+01  0.711406D+01  0.526253D+01  0.637847D+01 -0.962114D+00
      5   0.237792D+01  0.117872D+02  0.501926D+01  0.262478D+01  0.422832D+01
      6   0.231159D+01  0.381779D+01  0.323256D+01  0.779368D+00  0.344242D+01
               236           237           238           239           240 
      1   0.149410D+02  0.884334D+01  0.151028D+02 -0.210266D+02 -0.837299D+01
      2  -0.153376D+02 -0.613188D+01 -0.988320D+01  0.265088D+02  0.929276D+01
      3   0.396595D+00 -0.271146D+01 -0.521961D+01 -0.548217D+01 -0.919775D+00
      4  -0.102164D+02 -0.356137D+00  0.283702D+01  0.204813D+02  0.613309D+01
      5  -0.216094D+01 -0.575796D+01 -0.298556D+01  0.747282D+01  0.977821D+01
      6  -0.426708D+01 -0.545017D+01 -0.198929D+01  0.831494D+01  0.850447D+01
               241           242           243 
      1   0.109930D+02 -0.997610D+01 -0.126839D+02
      2  -0.558905D+01  0.123677D+02  0.787748D+01
      3  -0.540392D+01 -0.239163D+01  0.480642D+01
      4   0.356983D+01  0.126173D+02  0.845790D+01
      5  -0.723305D+00  0.104777D+02  0.725354D+01
      6  -0.185752D+01  0.110254D+02  0.778043D+01
 Leave Link  716 at Mon Aug 16 22:24:22 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.167536D+03 -0.588681D+01  0.678872D+01
      2  -0.588681D+01  0.121636D+03 -0.321614D+01
      3   0.678872D+01 -0.321614D+01  0.103402D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.222950D+01 -0.149905D+01 -0.115474D+02
      2   0.413726D+02 -0.145356D+02 -0.358906D+02
      3  -0.113913D+01  0.187325D+02  0.125793D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.593775D+02 -0.170119D+02  0.348770D+02
      2  -0.136836D+02  0.190628D+02 -0.181252D+02
      3  -0.456939D+02 -0.205098D+01 -0.167517D+02
      4   0.253638D+01 -0.334812D+02 -0.337900D+02
      5   0.309477D+02 -0.321034D+02 -0.881476D+02
      6  -0.102075D+02 -0.435088D+01  0.278349D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.307140D+01 -0.181281D+01 -0.376392D+01 -0.126241D+01 -0.367315D+01
      2  -0.181281D+01 -0.367681D+01  0.206080D+01 -0.367315D+01 -0.181959D+01
      3  -0.376392D+01  0.206080D+01  0.320056D+01  0.211659D+01 -0.185282D+01
                 6             7             8             9            10 
      1   0.211659D+01 -0.344887D+01  0.254687D+01  0.311503D+01 -0.199252D+02
      2  -0.185282D+01  0.254687D+01 -0.138243D+01  0.720977D+00  0.401269D+01
      3   0.137841D+01  0.311503D+01  0.720977D+00  0.544252D+00  0.270152D+01
                11            12            13            14            15 
      1   0.401269D+01  0.270152D+01  0.109764D+02  0.147255D+01 -0.228999D+01
      2   0.233095D+01 -0.194617D+01  0.147255D+01  0.428221D+01  0.131136D+01
      3  -0.194617D+01 -0.320180D+01 -0.228999D+01  0.131136D+01 -0.821237D+00
                16            17            18            19            20 
      1   0.118694D+02 -0.343579D+01 -0.499603D+01  0.336339D+02 -0.447475D+01
      2  -0.343579D+01  0.231024D+01 -0.270094D+00 -0.447475D+01  0.257346D+01
      3  -0.499603D+01 -0.270094D+00 -0.261761D+01  0.104197D+01  0.820504D+00
                21            22            23            24            25 
      1   0.104197D+01 -0.928633D+01  0.291681D+01  0.175903D+01 -0.315304D+01
      2   0.820504D+00  0.291681D+01  0.160850D+01 -0.161276D+01  0.206292D+01
      3   0.266132D+01  0.175903D+01 -0.161276D+01 -0.204149D+01  0.605433D+01
                26            27            28            29            30 
      1   0.206292D+01  0.605433D+01 -0.506729D+02  0.527104D+01 -0.466823D+01
      2  -0.234956D+01 -0.171317D+01  0.527104D+01 -0.230250D+01 -0.165271D+00
      3  -0.171317D+01  0.513992D+01 -0.466823D+01 -0.165271D+00 -0.242421D+01
                31            32            33            34            35 
      1   0.141318D+02 -0.450736D+01  0.925053D+00 -0.134664D+02  0.181715D+00
      2  -0.450736D+01 -0.184388D+01  0.113872D+01  0.181715D+00  0.106766D+01
      3   0.925053D+00  0.113872D+01  0.150793D+01 -0.664323D+01  0.111491D+01
                36            37            38            39            40 
      1  -0.664323D+01  0.498374D+02 -0.705808D+01  0.657104D+01 -0.108320D+02
      2   0.111491D+01 -0.705808D+01  0.105408D+01 -0.376012D+00  0.369034D+01
      3  -0.468219D+01  0.657104D+01 -0.376012D+00  0.245828D+01 -0.516665D+00
                41            42            43            44            45 
      1   0.369034D+01 -0.516665D+00  0.142338D+02 -0.106594D+01  0.552408D+01
      2   0.281413D+01 -0.158290D+01 -0.106594D+01 -0.184677D+01 -0.131959D+01
      3  -0.158290D+01 -0.174287D+01  0.552408D+01 -0.131959D+01  0.255779D+01
                46            47            48            49            50 
      1  -0.358668D+02  0.709045D+01 -0.698254D+01  0.744784D+01 -0.352537D+01
      2   0.709045D+01 -0.189997D+01  0.192293D+01 -0.352537D+01 -0.192254D+01
      3  -0.698254D+01  0.192293D+01 -0.800594D+00  0.257970D+01  0.275489D-01
                51            52            53            54            55 
      1   0.257970D+01 -0.960510D+01  0.265206D+01 -0.182179D+01  0.293311D+02
      2   0.275489D-01  0.265206D+01  0.237238D+00  0.876904D+00 -0.645096D+01
      3   0.910147D+00 -0.182179D+01  0.876904D+00 -0.731106D+00  0.512857D+01
                56            57            58            59            60 
      1  -0.645096D+01  0.512857D+01 -0.202730D+02  0.683427D+01 -0.370375D+01
      2   0.314739D+01 -0.129603D+01  0.683427D+01 -0.533219D+01  0.175723D+01
      3  -0.129603D+01  0.190942D+01 -0.370375D+01  0.175723D+01 -0.176882D+01
                61            62            63            64            65 
      1   0.103273D+02 -0.178281D+01  0.578572D+01  0.574174D+01 -0.264202D+01
      2  -0.178281D+01  0.979611D+00 -0.264477D+01 -0.264202D+01 -0.292073D+01
      3   0.578572D+01 -0.264477D+01  0.354381D+01 -0.206286D+01  0.254524D+01
                66            67            68            69            70 
      1  -0.206286D+01 -0.236228D+01 -0.231561D+01  0.273648D+01 -0.375400D+01
      2   0.254524D+01 -0.231561D+01 -0.336641D+01 -0.423593D+00  0.276687D+01
      3   0.283847D+01  0.273648D+01 -0.423593D+00  0.153453D+01  0.375659D+01
                71            72            73            74            75 
      1   0.276687D+01  0.375659D+01  0.298143D+01  0.190721D+01  0.139576D+01
      2  -0.849498D+00  0.656378D+00  0.190721D+01 -0.216164D+01 -0.797484D+00
      3   0.656378D+00  0.436814D+01  0.139576D+01 -0.797484D+00  0.291789D+01
                76            77            78            79            80 
      1   0.315517D+01 -0.263557D+01 -0.172379D+01 -0.519670D+00 -0.120792D+01
      2  -0.263557D+01 -0.518392D+01 -0.361634D+00 -0.120792D+01 -0.918588D+00
      3  -0.172379D+01 -0.361634D+00  0.137418D+01  0.480694D+01  0.198090D+01
                81            82            83            84            85 
      1   0.480694D+01  0.272430D+01 -0.220449D+01 -0.198396D+01 -0.281843D+01
      2   0.198090D+01 -0.220449D+01 -0.162999D+01  0.168285D+01 -0.211187D+01
      3  -0.122031D+01 -0.198396D+01  0.168285D+01 -0.805627D+00  0.133998D+01
                86            87            88            89            90 
      1  -0.211187D+01  0.133998D+01 -0.189096D+01  0.184561D+01 -0.117088D+01
      2   0.129570D+01  0.268111D+01  0.184561D+01  0.379449D+01  0.255494D+01
      3   0.268111D+01  0.213382D+01 -0.117088D+01  0.255494D+01 -0.438045D+00
                91            92            93            94            95 
      1  -0.835255D+01 -0.198790D+01 -0.203804D+01  0.680687D+00  0.335249D+01
      2  -0.198790D+01  0.327103D+01 -0.524693D-01  0.335249D+01  0.950163D+00
      3  -0.203804D+01 -0.524693D-01  0.170370D+01  0.490895D-01 -0.115111D+01
                96            97            98            99           100 
      1   0.490895D-01 -0.316528D+01 -0.161380D+00  0.555270D+00 -0.649910D+01
      2  -0.115111D+01 -0.161380D+00 -0.109736D+01 -0.251331D+01 -0.157067D+01
      3  -0.184234D+01  0.555270D+00 -0.251331D+01  0.368651D+01 -0.261251D+01
               101           102           103           104           105 
      1  -0.157067D+01 -0.261251D+01 -0.457915D+00 -0.884643D+00 -0.126402D+00
      2  -0.134519D+01 -0.456091D+00 -0.884643D+00 -0.229919D+00 -0.544435D+00
      3  -0.456091D+00 -0.223980D+01 -0.126402D+00 -0.544435D+00 -0.380259D+00
               106           107           108           109           110 
      1  -0.479225D+01 -0.743374D+00 -0.302019D+01 -0.307681D+01 -0.154071D+01
      2  -0.743374D+00 -0.145020D+01 -0.101730D+01 -0.154071D+01 -0.834162D+00
      3  -0.302019D+01 -0.101730D+01 -0.274223D+01  0.178863D+01  0.795982D+00
               111           112           113           114           115 
      1   0.178863D+01 -0.977239D+00 -0.126886D+01  0.976306D+00  0.443895D+01
      2   0.795982D+00 -0.126886D+01 -0.136555D+01  0.127837D+01  0.184480D+01
      3  -0.198330D+01  0.976306D+00  0.127837D+01 -0.129029D+01 -0.388990D+01
               116           117           118           119           120 
      1   0.184480D+01 -0.388990D+01 -0.479391D+01  0.101221D+01 -0.175550D+01
      2   0.237756D+01 -0.199006D+01  0.101221D+01 -0.580670D+00  0.224421D-01
      3  -0.199006D+01  0.509229D+01 -0.175550D+01  0.224421D-01 -0.173405D+01
               121           122           123           124           125 
      1   0.443313D+01 -0.117229D+01  0.179781D+00 -0.363682D+01 -0.538540D-01
      2  -0.117229D+01  0.236028D+00 -0.982765D+00 -0.538540D-01 -0.128041D+01
      3   0.179781D+00 -0.982765D+00  0.108170D+01 -0.325414D+01  0.936961D+00
               126           127           128           129           130 
      1  -0.325414D+01  0.208048D+01 -0.222308D+00  0.934762D+00 -0.465377D+00
      2   0.936961D+00 -0.222308D+00  0.160219D+01 -0.752126D+00  0.835224D+00
      3  -0.837930D+01  0.934762D+00 -0.752126D+00  0.126728D+01 -0.497431D+00
               131           132           133           134           135 
      1   0.835224D+00 -0.497431D+00  0.185469D+01 -0.621768D+00  0.830863D+00
      2  -0.232510D+01  0.819552D+00 -0.621768D+00  0.198610D+01 -0.168970D+01
      3   0.819552D+00 -0.118315D+01  0.830863D+00 -0.168970D+01  0.287424D+01
               136           137           138           139           140 
      1  -0.727675D+00 -0.940470D+00 -0.432790D+00 -0.475446D+00 -0.387988D+00
      2  -0.940470D+00 -0.107757D+00 -0.213973D+00 -0.387988D+00 -0.701048D+01
      3  -0.432790D+00 -0.213973D+00  0.255574D-01 -0.220502D+00 -0.324800D+01
               141           142           143           144           145 
      1  -0.220502D+00 -0.108669D+01 -0.471607D+00  0.909275D-01  0.232739D+01
      2  -0.324800D+01 -0.471607D+00 -0.472347D+01 -0.337852D+01  0.183710D+01
      3  -0.239616D+01  0.909275D-01 -0.337852D+01 -0.320578D+01  0.585921D+00
               146           147           148           149           150 
      1   0.183710D+01  0.585921D+00  0.199730D+01  0.220885D+01  0.166458D+00
      2   0.278450D+01  0.532004D+00  0.220885D+01  0.538682D+01  0.140155D+01
      3   0.532004D+00  0.833928D+00  0.166458D+00  0.140155D+01  0.157119D+01
               151           152           153           154           155 
      1  -0.149162D+00 -0.489482D-01  0.223988D+00  0.192411D+01 -0.801497D+00
      2  -0.489482D-01  0.156505D+00  0.595996D+00 -0.801497D+00  0.154086D+01
      3   0.223988D+00  0.595996D+00  0.320695D+00  0.123427D+01 -0.667537D+00
               156           157           158           159           160 
      1   0.123427D+01 -0.140642D+01  0.130309D+01 -0.809379D+00  0.110115D+01
      2  -0.667537D+00  0.130309D+01 -0.235295D+01  0.120545D+01 -0.685777D+00
      3   0.152730D+01 -0.809379D+00  0.120545D+01 -0.265013D+01  0.715185D+00
               161           162           163           164           165 
      1  -0.685777D+00  0.715185D+00 -0.527944D+01  0.154194D+01  0.356658D+01
      2   0.119672D+01 -0.117189D+01  0.154194D+01 -0.126720D+01 -0.142414D+01
      3  -0.117189D+01  0.257465D+01  0.356658D+01 -0.142414D+01 -0.426295D+01
               166           167           168           169           170 
      1   0.752463D+00 -0.675230D+00 -0.812228D+00  0.245209D+01 -0.100713D+01
      2  -0.675230D+00  0.119694D+01  0.124685D+01 -0.100713D+01  0.112742D+01
      3  -0.812228D+00  0.124685D+01  0.862123D+00 -0.302358D+01  0.121927D+01
               171           172           173           174           175 
      1  -0.302358D+01 -0.240363D+01  0.299930D+00 -0.160054D+01 -0.884522D+00
      2   0.121927D+01  0.299930D+00 -0.162873D+00 -0.163792D+00  0.806094D-01
      3   0.445780D+01 -0.160054D+01 -0.163792D+00 -0.216300D+01 -0.769803D+00
               176           177           178           179           180 
      1   0.806094D-01 -0.769803D+00 -0.255263D+01  0.217811D+00 -0.313051D+01
      2  -0.425849D+00 -0.711034D+00  0.217811D+00 -0.151260D+01  0.191034D+00
      3  -0.711034D+00 -0.136871D+01 -0.313051D+01  0.191034D+00 -0.681737D+01
               181           182           183           184           185 
      1   0.134508D+01  0.126525D+01  0.410701D-01  0.175569D+01  0.894867D+00
      2   0.126525D+01  0.365719D+01 -0.825698D+00  0.894867D+00  0.757829D+01
      3   0.410701D-01 -0.825698D+00  0.695378D+00 -0.260496D+00 -0.112483D+01
               186           187           188           189           190 
      1  -0.260496D+00  0.292334D+00 -0.453999D+00 -0.114821D+00 -0.776663D+01
      2  -0.112483D+01 -0.453999D+00 -0.592647D+00  0.100583D+01  0.325556D+01
      3   0.115630D+01 -0.114821D+00  0.100583D+01 -0.844722D+00  0.188537D+01
               191           192           193           194           195 
      1   0.325556D+01  0.188537D+01  0.169326D+01 -0.167913D+01 -0.773892D+00
      2  -0.208423D+01 -0.835568D+00 -0.167913D+01  0.206125D+01  0.598048D+00
      3  -0.835568D+00 -0.192479D+01 -0.773892D+00  0.598048D+00  0.384950D+00
               196           197           198           199           200 
      1   0.457146D+01 -0.206261D+01 -0.216144D+01 -0.392039D+00  0.140130D+01
      2  -0.206261D+01  0.197803D+01  0.815558D+00  0.140130D+01  0.785659D+00
      3  -0.216144D+01  0.815558D+00  0.154736D+01 -0.653328D+00 -0.116663D+00
               201           202           203           204           205 
      1  -0.653328D+00  0.215382D+01  0.957825D+00  0.346603D-01 -0.190245D+01
      2  -0.116663D+00  0.957825D+00  0.572094D+01 -0.166687D+01  0.382749D+00
      3  -0.768103D-01  0.346603D-01 -0.166687D+01  0.132923D+01  0.806570D+00
               206           207           208           209           210 
      1   0.382749D+00  0.806570D+00  0.332605D+00 -0.105399D+01  0.395805D+00
      2  -0.139928D+01  0.879618D+00 -0.105399D+01 -0.684550D-01 -0.591886D-01
      3   0.879618D+00 -0.542324D+00  0.395805D+00 -0.591886D-01  0.145280D+00
               211           212           213           214           215 
      1  -0.233918D+01 -0.300462D+00 -0.850626D-01  0.726076D+00 -0.108945D+00
      2  -0.300462D+00 -0.662607D+01  0.106884D+01 -0.108945D+00  0.150004D+01
      3  -0.850626D-01  0.106884D+01 -0.114036D+01 -0.277977D+00 -0.791463D+00
               216           217           218           219           220 
      1  -0.277977D+00  0.115913D+01  0.266013D+00 -0.467002D+00  0.108724D+01
      2  -0.791463D+00  0.266013D+00 -0.958962D+00  0.189624D+00  0.982808D-01
      3   0.417769D+00 -0.467002D+00  0.189624D+00 -0.640226D+00  0.196359D-01
               221           222           223           224           225 
      1   0.982808D-01  0.196359D-01 -0.200522D+01 -0.942383D+00  0.616272D+00
      2   0.146857D+01 -0.104088D+01 -0.942383D+00 -0.247617D+01  0.237779D+01
      3  -0.104088D+01  0.137806D+01  0.616272D+00  0.237779D+01 -0.667938D+01
               226           227           228           229           230 
      1   0.989625D+01  0.289448D+01  0.714071D+00  0.126875D+01  0.104278D+01
      2   0.289448D+01  0.197971D+01  0.191048D+00  0.104278D+01  0.777130D+00
      3   0.714071D+00  0.191048D+00  0.128721D+01  0.139527D+00  0.294465D+00
               231           232           233           234           235 
      1   0.139527D+00  0.159849D+01  0.512825D+00  0.112075D+01 -0.629636D+00
      2   0.294465D+00  0.512825D+00  0.619405D+00  0.645162D+00  0.705473D+00
      3   0.332602D+00  0.112075D+01  0.645162D+00  0.205857D+00  0.103588D+01
               236           237           238           239           240 
      1   0.705473D+00  0.103588D+01  0.230705D+01 -0.550474D+00 -0.432905D+00
      2  -0.272589D+01 -0.615217D+00 -0.550474D+00  0.442777D+01  0.147453D+01
      3  -0.615217D+00 -0.121443D+01 -0.432905D+00  0.147453D+01  0.169068D+01
               241           242           243 
      1   0.166276D+01 -0.159998D+00 -0.498014D+00
      2  -0.159998D+00  0.254798D+01  0.192765D+01
      3  -0.498014D+00  0.192765D+01  0.156929D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.100891D+01 -0.108039D+02  0.188720D+01 -0.111085D+02 -0.269101D+01
      2   0.688311D+01  0.849511D+00  0.533815D+01 -0.468838D+00  0.116522D+02
      3  -0.201719D+01 -0.105289D+02 -0.934297D+00 -0.603416D+01 -0.736392D+01
                 6             7             8             9            10 
      1  -0.812303D+01  0.205197D+01 -0.209658D+01  0.307946D+01 -0.770312D+01
      2  -0.683175D+01 -0.131259D+01 -0.541990D+01 -0.650588D+01 -0.232162D+02
      3  -0.260206D+00  0.121433D+01 -0.158091D+00  0.389325D+01  0.393622D+01
                11            12            13            14            15 
      1   0.535825D+01  0.212924D+01  0.566481D+01 -0.873307D+00 -0.353511D+01
      2   0.729574D+01  0.112336D+02  0.143693D+02 -0.658774D+01  0.234395D+01
      3   0.527769D+01 -0.159794D+01  0.121494D+02  0.137071D+02  0.170685D+01
                16            17            18            19            20 
      1   0.391718D+01  0.530665D+01  0.833676D+00  0.997584D+01 -0.389855D+01
      2   0.133920D+02  0.947811D+00  0.327216D+01  0.249457D+02 -0.551097D+01
      3  -0.287054D+01  0.728795D+00 -0.350900D+01 -0.404197D+01 -0.448398D+01
                21            22            23            24            25 
      1  -0.250161D+01 -0.515999D+01 -0.471837D+01 -0.620340D+00 -0.693805D+01
      2   0.142029D+01 -0.115936D+02  0.476924D+01  0.387207D+01 -0.162157D+02
      3  -0.768622D+00  0.786248D+01 -0.154334D+01 -0.579235D+00 -0.236631D+01
                26            27            28            29            30 
      1   0.445035D+01  0.270842D+01 -0.104094D+02  0.148794D+01  0.142476D+01
      2   0.357367D+01  0.267451D+01 -0.291543D+02  0.267368D+01 -0.754127D+01
      3  -0.749175D+00 -0.161864D+01  0.477000D+01  0.249325D+01  0.218765D+01
                31            32            33            34            35 
      1   0.266571D+01  0.290975D+01 -0.190669D+01  0.567576D+01  0.271188D+01
      2   0.774604D+01 -0.298514D+01  0.155065D+01 -0.409533D+02  0.322485D+01
      3   0.178335D+02 -0.133675D+01  0.105960D+01  0.752720D+01  0.122146D+01
                36            37            38            39            40 
      1  -0.951564D+00  0.826137D+01 -0.136702D+01 -0.271250D+01 -0.716407D+01
      2  -0.995625D+01  0.363014D+02 -0.371423D+01  0.126065D+02 -0.647785D+01
      3   0.692488D+00  0.217412D+01 -0.631475D+01 -0.179125D+01  0.890928D+01
                41            42            43            44            45 
      1   0.362490D+00 -0.198167D+01 -0.551030D+01  0.106272D+01 -0.896404D+00
      2  -0.104646D+01  0.482858D+00  0.118402D+02 -0.702418D+00  0.688175D+01
      3  -0.120082D+02  0.472701D+01 -0.453085D+01  0.313486D+01  0.338128D+00
                46            47            48            49            50 
      1  -0.745669D+01 -0.153895D+01  0.833927D+01 -0.135106D+01  0.675702D+01
      2  -0.208752D+02  0.433091D+01 -0.170433D+02  0.234295D+01 -0.134236D+01
      3  -0.863821D+01  0.956806D+01  0.235518D+01  0.169316D+02  0.439151D+01
                51            52            53            54            55 
      1   0.404069D+01  0.381681D+01  0.149400D+02 -0.323541D+01  0.391843D+01
      2   0.275471D+01 -0.257290D+02 -0.105800D+01 -0.777721D+01  0.163621D+02
      3   0.217696D+01  0.148450D+01  0.509106D+01 -0.163478D+01  0.472258D+01
                56            57            58            59            60 
      1   0.161291D+01 -0.163696D+01 -0.155692D+01 -0.242277D+01 -0.460780D+01
      2  -0.408526D+01  0.173143D+02 -0.109078D+02  0.579231D+01 -0.111899D+02
      3  -0.179233D+02  0.477489D+00 -0.697019D+01  0.176878D+02 -0.333933D+01
                61            62            63            64            65 
      1   0.204887D+01 -0.640857D+00  0.198363D+01  0.579316D+01 -0.380703D+01
      2   0.142059D+02 -0.557659D+01  0.134550D+02  0.946933D+01 -0.101583D+02
      3  -0.204116D+00 -0.707355D+01  0.511484D+01  0.376298D+00 -0.181507D+02
                66            67            68            69            70 
      1  -0.762758D+01 -0.370512D+01  0.365704D+01 -0.386785D+01 -0.107690D+02
      2  -0.857895D+01 -0.927240D+01  0.114262D+00 -0.264943D+01 -0.162700D+02
      3   0.518587D+01 -0.784169D+01 -0.183036D+02  0.376775D+01  0.395881D+01
                71            72            73            74            75 
      1   0.208632D+01 -0.915780D+01  0.373170D+01 -0.326868D+01  0.375577D+01
      2   0.497877D+00 -0.115642D+02 -0.207200D+01  0.187453D+01 -0.908593D+01
      3   0.399787D+01  0.884412D+01  0.721903D+01 -0.153374D+02 -0.723042D+01
                76            77            78            79            80 
      1  -0.227402D+01 -0.280961D+01  0.164090D+00  0.695103D+01  0.552070D+01
      2   0.518839D+01  0.191381D+01 -0.531743D+01 -0.221718D+02 -0.785132D+01
      3  -0.831496D+01 -0.136255D+02  0.973840D-01 -0.772957D+01  0.824281D+00
                81            82            83            84            85 
      1  -0.151857D+01 -0.361557D+01  0.622951D+01 -0.260577D+01  0.839328D+01
      2   0.510426D+01  0.369569D+01 -0.299970D+01  0.249100D+01 -0.515562D+01
      3   0.142140D+01 -0.100173D+02  0.583932D-01  0.791153D+01  0.777483D+01
                86            87            88            89            90 
      1   0.914136D+01  0.160754D+01 -0.169654D+01  0.905891D+01 -0.131040D+01
      2  -0.358467D+01 -0.118538D+01 -0.128454D+01 -0.406865D+00  0.275981D+00
      3   0.522377D+01 -0.127191D+01  0.104279D+02 -0.838044D+00  0.654296D+01
                91            92            93            94            95 
      1   0.313011D+01 -0.268746D+01 -0.559787D+01  0.965354D-01  0.247076D+01
      2  -0.937393D+01 -0.289419D+00  0.840975D+01  0.979425D+00 -0.297980D+01
      3  -0.109268D+01 -0.193270D+02 -0.349771D+01 -0.855134D+01  0.156291D+01
                96            97            98            99           100 
      1  -0.731666D+00  0.310133D+01  0.109046D+02 -0.680709D+01 -0.330278D+01
      2  -0.450131D+01 -0.212205D+01 -0.989053D+01  0.132884D+02  0.785671D+01
      3   0.445710D+01 -0.295319D+01  0.582488D+01  0.121981D+02  0.385812D+01
               101           102           103           104           105 
      1   0.469451D+00 -0.336076D+01 -0.162864D+00 -0.599944D+00 -0.137705D+01
      2   0.105623D+01  0.944512D+01  0.682086D+00  0.147987D+01  0.143086D+01
      3  -0.424358D+01  0.202612D+01  0.212271D-01  0.895022D+00 -0.150600D+01
               106           107           108           109           110 
      1  -0.360746D+01  0.590983D+00 -0.385411D+01  0.201692D+01  0.650045D-01
      2   0.707202D+01  0.271557D+01  0.935208D+01 -0.345112D+01 -0.234768D+01
      3   0.374461D+01 -0.524278D+01  0.671080D+00  0.312548D+00 -0.241300D+01
               111           112           113           114           115 
      1  -0.286197D+01  0.173901D+01  0.939206D+00 -0.252840D+01 -0.425738D+01
      2   0.759587D+01 -0.192980D+01 -0.420675D+01  0.445986D+01  0.933782D+01
      3   0.390197D+00 -0.379602D-01 -0.284865D+01  0.247903D+01  0.280595D+00
               116           117           118           119           120 
      1   0.110054D+01  0.718185D+01 -0.153279D+01  0.154307D+01 -0.344417D+00
      2   0.587202D+01 -0.168099D+02 -0.329586D+01  0.127303D+01  0.130974D+01
      3   0.697534D+01 -0.152752D+01  0.964923D+00 -0.187149D+01  0.630858D+00
               121           122           123           124           125 
      1   0.250423D+01 -0.839973D-01  0.462280D+00  0.179921D+01  0.412746D+01
      2   0.511236D+01 -0.768822D+00 -0.687986D+00 -0.395806D+01 -0.807301D+00
      3   0.133402D+01 -0.161407D+00 -0.606294D+00  0.974335D+00 -0.169843D+01
               126           127           128           129           130 
      1  -0.261810D+01  0.263184D+01 -0.184194D+01  0.397551D+01 -0.164424D+01
      2   0.454931D+01 -0.236377D+01  0.814774D+00 -0.378224D+00  0.954761D+00
      3   0.111476D+01 -0.806440D+01  0.147996D+01 -0.429302D+01  0.368561D+01
               131           132           133           134           135 
      1   0.187930D+01 -0.394762D+01  0.260098D+01 -0.224508D+01  0.853060D+01
      2  -0.106235D+01  0.964753D+00 -0.320685D+01  0.194329D+01 -0.271117D+01
      3  -0.533661D+01  0.274224D+01 -0.756132D+01  0.431090D+01 -0.585311D+01
               136           137           138           139           140 
      1  -0.244080D+00 -0.648090D+00  0.295800D+00  0.220721D+00 -0.345937D+01
      2  -0.389547D-01 -0.201074D-01  0.525022D+00 -0.857196D+00  0.306587D+01
      3  -0.106332D+01  0.626518D+00  0.272037D+00  0.450352D+01 -0.100246D+02
               141           142           143           144           145 
      1  -0.657482D+01  0.591970D+00 -0.371691D+01 -0.687169D+01  0.377929D+01
      2   0.245677D+01 -0.235532D+01  0.335118D+01  0.354968D+01 -0.747532D+01
      3  -0.435335D+01  0.259933D+01 -0.575489D+01 -0.548274D+01  0.816488D+01
               146           147           148           149           150 
      1   0.574244D+01 -0.134883D+01  0.490242D+01  0.887158D+01 -0.187243D+01
      2  -0.494190D+01 -0.130273D+01 -0.597366D+01 -0.789662D+01 -0.179833D+01
      3   0.542346D+01  0.122082D+01  0.889582D+01  0.102585D+02  0.259619D+01
               151           152           153           154           155 
      1  -0.824977D+00  0.981555D+00  0.125261D+01 -0.370204D+01  0.556337D+01
      2  -0.156491D+01 -0.843501D+00 -0.915546D+00 -0.847657D+01  0.359155D+01
      3  -0.101139D+01 -0.876651D-01  0.138831D+01 -0.427930D+00  0.469557D+00
               156           157           158           159           160 
      1  -0.210724D+01  0.451685D+01 -0.824913D+01  0.226464D+01 -0.217554D+01
      2  -0.352902D+01  0.600080D+01 -0.562241D+01  0.533641D+01 -0.492528D+01
      3   0.365449D-01  0.263044D+01 -0.128154D+01  0.993027D+00 -0.500324D+00
               161           162           163           164           165 
      1   0.473189D+01 -0.385635D+01 -0.871500D+00 -0.210405D+01  0.219138D+01
      2   0.352830D+01 -0.516953D+01  0.364283D+01  0.319431D+00  0.402900D+01
      3   0.357305D+00 -0.107045D+01 -0.206183D+01 -0.284965D+01  0.286602D+00
               166           167           168           169           170 
      1  -0.124968D+00  0.111261D+01  0.317346D-01  0.970122D+00  0.278136D+01
      2  -0.116672D+01 -0.154135D+01 -0.273989D-01 -0.330588D+01  0.474851D-01
      3   0.639507D+00  0.196440D+01  0.130851D+01  0.176773D+01  0.181037D+01
               171           172           173           174           175 
      1  -0.265853D+01  0.258884D+01  0.111208D+01  0.422058D+01  0.677819D+00
      2  -0.322195D+01  0.278343D+01  0.574795D+00  0.672177D+01  0.876508D+00
      3  -0.727832D+00 -0.242232D+01 -0.105927D+01 -0.313576D+01  0.219958D+00
               176           177           178           179           180 
      1   0.243556D+01  0.179507D+01  0.492444D+01  0.421886D+01  0.117003D+02
      2   0.227865D+01  0.391169D+01  0.468412D+01  0.817703D-01  0.191044D+02
      3  -0.177212D+01 -0.304516D+01 -0.351365D+01 -0.569361D+01 -0.458344D+01
               181           182           183           184           185 
      1  -0.959517D+00 -0.582788D+00 -0.197599D+01 -0.381412D+00 -0.253841D+01
      2   0.137407D+01  0.297094D+01 -0.731504D+00  0.234129D+01  0.407624D+01
      3   0.926183D+01  0.127764D+02 -0.228972D+01  0.940460D+01  0.254892D+02
               186           187           188           189           190 
      1  -0.398692D+01  0.288702D+00  0.459012D-01  0.127865D+01 -0.543391D+01
      2  -0.283749D+01 -0.630230D+00 -0.290216D+01  0.209822D+01 -0.933239D+01
      3  -0.413953D+01 -0.151075D+01 -0.312169D+01  0.283633D+01 -0.383501D+01
               191           192           193           194           195 
      1   0.227325D+01  0.498514D+01  0.246753D+01 -0.198067D+01 -0.210556D+01
      2   0.442370D+01  0.985894D+01  0.376885D+01 -0.297097D+01 -0.226524D+01
      3  -0.363269D+01  0.705568D+00  0.124389D+00  0.418463D+01  0.372297D+00
               196           197           198           199           200 
      1   0.448122D+01 -0.727821D+00 -0.364896D+01  0.337760D+00 -0.117470D+01
      2   0.753548D+01 -0.308178D+01 -0.717087D+01 -0.390759D+00  0.125482D+01
      3   0.896064D+00  0.389389D+01 -0.116580D+01  0.130535D+00  0.403090D-03
               201           202           203           204           205 
      1  -0.561032D+00 -0.213323D+01 -0.526312D+01 -0.196413D+01 -0.578392D+01
      2  -0.461756D+00  0.244925D+01  0.875046D+00  0.790551D+00 -0.305322D+01
      3   0.644470D-01  0.364575D+01 -0.273518D+01  0.181626D+00 -0.158920D+01
               206           207           208           209           210 
      1   0.223225D+01 -0.878824D+00  0.103212D+01  0.783166D-02 -0.142871D+00
      2   0.129569D+00  0.496946D+00  0.223658D+01 -0.371644D+00  0.350673D+00
      3   0.658666D+00 -0.867090D+00  0.357227D+01  0.416669D+00 -0.979287D-01
               211           212           213           214           215 
      1  -0.449541D+00  0.770082D+00 -0.369747D+01 -0.228737D+01  0.379540D+00
      2  -0.223871D+00  0.309164D+01 -0.227251D+01 -0.385210D+01 -0.191742D+01
      3   0.608978D+01  0.135564D+02 -0.244511D+01 -0.227604D+01 -0.304925D+01
               216           217           218           219           220 
      1   0.488048D+00 -0.184468D+00 -0.475396D+00  0.155097D+01 -0.120987D+01
      2   0.622965D+00 -0.130928D+01  0.907045D+00 -0.198644D+01  0.166084D+01
      3   0.167808D+01 -0.866105D+00  0.302307D+01 -0.176861D+01  0.112383D+01
               221           222           223           224           225 
      1   0.998851D+00 -0.275929D+01 -0.159307D+01 -0.291655D+01  0.120915D+02
      2  -0.326018D+01  0.445056D+01 -0.393906D-05  0.831654D+01 -0.230089D+02
      3  -0.530371D+01  0.347504D+01 -0.462586D+00  0.697594D+01 -0.866996D+01
               226           227           228           229           230 
      1  -0.210655D+01 -0.583445D+00 -0.242550D+01 -0.651031D+00 -0.628733D+00
      2   0.526802D+01  0.153785D+01  0.694903D+01  0.113663D+01  0.136295D+01
      3   0.398819D+01 -0.565596D+01  0.606963D+00  0.794798D+00 -0.924651D+00
               231           232           233           234           235 
      1  -0.140793D+01 -0.108541D+01 -0.194027D-01 -0.411755D+00 -0.683888D+00
      2   0.154218D+01  0.300896D+01  0.195727D+01  0.122390D+01  0.340071D+01
      3  -0.883680D+00  0.413052D+00 -0.205880D+01 -0.120920D+01 -0.596032D+01
               236           237           238           239           240 
      1   0.331693D+01  0.305529D+01  0.183394D+01 -0.437959D+01 -0.447032D+01
      2  -0.291692D+01 -0.325958D+01 -0.158219D+01  0.538349D+01  0.521629D+01
      3   0.113600D+02  0.465562D+01  0.694087D+01 -0.172951D+02 -0.631870D+01
               241           242           243 
      1   0.366461D+00 -0.405117D+01 -0.406144D+01
      2  -0.193058D+01  0.721421D+01  0.546975D+01
      3   0.379140D+01 -0.102797D+02 -0.881426D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.624092D+01  0.662235D+01  0.830240D+01  0.375066D+01  0.185794D+02
      2   0.500831D+01 -0.187129D+02 -0.113618D+02 -0.151100D+02 -0.105374D+02
      3  -0.112492D+02  0.120906D+02  0.305937D+01  0.113594D+02 -0.804204D+01
      4   0.772213D+01  0.670252D+01 -0.124361D+02  0.827103D+01 -0.270504D+01
      5   0.209667D+02 -0.124080D+02 -0.238002D+02 -0.125642D+02 -0.242199D+01
      6  -0.824733D+01 -0.699258D+01  0.111999D+02 -0.729892D+01 -0.612861D+01
                 6             7             8             9            10 
      1  -0.879543D+01  0.434355D+01 -0.109272D+02 -0.168284D+02 -0.241499D+01
      2  -0.475584D+00 -0.866890D+01  0.141967D+01  0.856371D+01 -0.788637D+00
      3   0.927101D+01  0.432535D+01  0.950756D+01  0.826474D+01  0.320362D+01
      4   0.743775D+01 -0.145413D+02  0.765784D+01  0.401330D+01 -0.142199D+02
      5   0.146742D+01 -0.236670D+02  0.591771D+01  0.872986D+01 -0.107199D+02
      6  -0.349059D+01  0.112506D+02 -0.324004D+01  0.547351D+01  0.755545D+01
                11            12            13            14            15 
      1  -0.892713D+01 -0.146373D+01 -0.340215D+00 -0.244973D+02  0.817381D+01
      2   0.117725D+02  0.118956D+01  0.240099D+01  0.115295D+02 -0.162962D+01
      3  -0.284541D+01  0.274171D+00 -0.206077D+01  0.129678D+02 -0.654418D+01
      4  -0.113826D+02  0.109950D+02 -0.168854D+02 -0.171368D+02 -0.680586D+01
      5   0.102874D+02  0.144608D+02  0.125368D+02 -0.245174D+01  0.573553D+01
      6  -0.726070D+01 -0.198709D+01 -0.249757D+01  0.101596D+02 -0.902861D+00
                16            17            18            19            20 
      1  -0.176111D+01  0.128408D+02  0.143063D+02  0.368231D+02  0.718810D+01
      2  -0.522836D+01 -0.376390D+01 -0.108611D+02 -0.166366D+02 -0.900986D+01
      3   0.698947D+01 -0.907691D+01 -0.344520D+01 -0.201865D+02  0.182176D+01
      4   0.161616D+02 -0.130947D+02  0.118510D+01  0.943835D+01 -0.593142D+01
      5   0.220764D+02  0.104883D+01  0.875332D+01 -0.702797D+01 -0.190339D+01
      6  -0.313159D+01 -0.360407D+00 -0.755524D+01 -0.749372D+01 -0.870320D+00
                21            22            23            24            25 
      1   0.473176D+01  0.227791D+01  0.213146D+01 -0.285001D+01  0.189941D+02
      2   0.191544D+01 -0.360727D+01 -0.510541D+01  0.613784D+00  0.686417D+01
      3  -0.664720D+01  0.132936D+01  0.297395D+01  0.223623D+01 -0.258583D+02
      4  -0.413456D+01 -0.515974D+01 -0.146667D+01  0.394221D+01 -0.112640D+02
      5  -0.603995D+01 -0.510886D+01  0.774071D+00  0.423701D+01 -0.158845D+02
      6   0.190143D+00 -0.166666D+01 -0.375258D+01  0.264578D+01 -0.179403D+01
                26            27            28            29            30 
      1  -0.764174D+01  0.111585D+02 -0.111090D+03  0.100719D+02 -0.120076D+02
      2   0.395854D+01  0.127411D+02  0.459709D+02 -0.580813D+01  0.471318D+01
      3   0.368320D+01 -0.238997D+02  0.651191D+02 -0.426374D+01  0.729437D+01
      4   0.887192D+01  0.165019D+01  0.172001D+02 -0.943907D+01  0.986951D+00
      5   0.462757D+01 -0.149137D+02 -0.747284D+00 -0.107378D+01 -0.931048D+01
      6   0.364442D+01  0.117956D+01  0.791912D+01  0.248702D+01  0.168597D+01
                31            32            33            34            35 
      1   0.439080D+02 -0.664960D+01  0.151204D+01 -0.390081D+02 -0.139482D+01
      2  -0.210183D+02  0.253034D+01  0.563673D+00  0.115570D+02  0.306812D+01
      3  -0.228897D+02  0.411926D+01 -0.207571D+01  0.274511D+02 -0.167330D+01
      4  -0.145727D+02 -0.264227D+01  0.807736D+00  0.685619D+01 -0.341959D+01
      5   0.663537D+01  0.202456D+01  0.188147D+01 -0.647371D+01  0.294123D+00
      6   0.125571D+01  0.839119D+01 -0.102593D+01  0.510670D+00  0.343623D+01
                36            37            38            39            40 
      1  -0.285410D+02  0.158460D+03 -0.240726D+02  0.278490D+02 -0.209362D+02
      2  -0.531558D-01 -0.686673D+02  0.108470D+02 -0.988258D+01  0.664911D+01
      3   0.285941D+02 -0.897927D+02  0.132256D+02 -0.179664D+02  0.142871D+02
      4   0.429159D+01 -0.450194D+02  0.142805D+02 -0.504209D+01  0.164926D+02
      5  -0.122209D+02  0.206559D+02 -0.149225D+01  0.187445D+02  0.282884D+01
      6   0.357138D+01 -0.909180D+01 -0.136445D+01 -0.246876D+01 -0.110681D+01
                41            42            43            44            45 
      1   0.126493D+02 -0.757602D+01  0.384870D+02 -0.910002D+01  0.704065D+01
      2  -0.109447D+02  0.255134D+01 -0.173221D+02  0.743288D+01 -0.680656D+01
      3  -0.170465D+01  0.502468D+01 -0.211649D+02  0.166714D+01 -0.234082D+00
      4   0.127888D+02 -0.482630D+01 -0.605983D+01 -0.631129D+01 -0.596679D+01
      5  -0.650662D+01 -0.236203D+01  0.268012D+02 -0.621198D+01  0.569461D+01
      6   0.378621D+01  0.380396D+01 -0.840451D+01  0.636281D+01  0.723496D+00
                46            47            48            49            50 
      1  -0.141135D+03  0.355382D+02 -0.240138D+02  0.502685D+02 -0.220079D+02
      2   0.634416D+02 -0.160266D+02  0.131810D+02 -0.316062D+02  0.366981D+01
      3   0.776939D+02 -0.195116D+02  0.108327D+02 -0.186623D+02  0.183380D+02
      4   0.648214D+02 -0.337675D+02  0.153423D+02 -0.349548D+02 -0.119335D+02
      5  -0.375393D+02  0.114573D+02 -0.223043D+02  0.212750D+02 -0.117194D+01
      6   0.149647D+02 -0.597676D+01  0.180171D+01  0.746541D+00  0.435954D+01
                51            52            53            54            55 
      1   0.131574D+02 -0.479664D+02  0.119267D+02 -0.141982D+02  0.154580D+03
      2  -0.109040D+02  0.230365D+02 -0.276628D+01  0.283488D+01 -0.750916D+02
      3  -0.225331D+01  0.249298D+02 -0.916039D+01  0.113633D+02 -0.794880D+02
      4  -0.832009D+00  0.267262D+02 -0.322962D+01  0.761461D+01 -0.642759D+02
      5   0.311100D+01 -0.741976D+01  0.555708D+01 -0.112091D+02  0.328454D+02
      6  -0.655263D+01  0.583683D+00  0.226535D+01  0.447299D+01 -0.763013D+01
                56            57            58            59            60 
      1  -0.381670D+02  0.242715D+02 -0.904002D+02  0.285091D+02 -0.128472D+02
      2   0.138452D+02 -0.147547D+02  0.371489D+02 -0.179985D+01  0.742443D+01
      3   0.243218D+02 -0.951682D+01  0.532513D+02 -0.267092D+02  0.542275D+01
      4   0.419030D+02 -0.118910D+02  0.668679D+02 -0.477792D+02  0.141766D+02
      5  -0.995072D+01  0.280236D+02 -0.217994D+02  0.117310D+02 -0.158605D+02
      6   0.404939D+01 -0.566893D+01  0.833419D+01 -0.605354D+01  0.113179D+02
                61            62            63            64            65 
      1   0.438288D+02 -0.543159D+01  0.244905D+02 -0.238576D+02  0.275834D+02
      2  -0.255307D+02  0.395222D+01 -0.186587D+02  0.726535D+01 -0.246817D+02
      3  -0.182981D+02  0.147937D+01 -0.583179D+01  0.165923D+02 -0.290163D+01
      4  -0.178371D+02  0.106900D+02 -0.211352D+02  0.226714D+02  0.593455D+01
      5   0.464910D+02 -0.198070D+02  0.296325D+02  0.137730D+02 -0.146759D+02
      6  -0.902113D+01  0.111377D+02 -0.809063D+01 -0.977345D+01  0.138714D+02
                66            67            68            69            70 
      1   0.980835D+01  0.207577D+02  0.270591D+02 -0.170237D+02  0.162932D+02
      2   0.535671D+01 -0.166170D+02 -0.241644D+02  0.106836D+02  0.471462D+01
      3  -0.151651D+02 -0.414075D+01 -0.289471D+01  0.634004D+01 -0.210079D+02
      4  -0.190784D+02  0.728061D+01  0.254986D+01  0.927142D+01 -0.241023D+02
      5  -0.174172D+02 -0.161403D+02  0.736958D+01 -0.998507D+01 -0.234362D+02
      6   0.612877D+01  0.114681D+02  0.149370D+00  0.321480D+01  0.825735D+01
                71            72            73            74            75 
      1  -0.194758D+02 -0.219517D+02 -0.222953D+01 -0.127782D+02 -0.194715D+02
      2   0.102111D+02  0.228584D+02  0.986340D+00  0.984066D+01  0.117622D+02
      3   0.926478D+01 -0.906637D+00  0.124319D+01  0.293751D+01  0.770928D+01
      4   0.127163D+02  0.225310D+01 -0.123695D+02  0.465517D+01 -0.105875D+01
      5  -0.428685D+01 -0.278809D+02 -0.938556D+01  0.318649D+01 -0.212702D+02
      6   0.332721D+01  0.663696D+01 -0.324963D+01  0.648440D+01 -0.656382D+01
                76            77            78            79            80 
      1  -0.162289D+02  0.153877D+02  0.680750D+01 -0.205873D+02  0.195314D+01
      2   0.161824D+02 -0.125276D+01 -0.489785D+01  0.121303D+02 -0.148889D+01
      3   0.464856D-01 -0.141350D+02 -0.190965D+01  0.845698D+01 -0.464254D+00
      4   0.122624D+02  0.323420D+02  0.414728D+01  0.468767D+01  0.883609D+01
      5   0.100358D+02 -0.154154D+01 -0.110778D+02 -0.348145D+02 -0.147148D+02
      6   0.314797D+01 -0.585676D+00 -0.401392D+01 -0.125744D+02 -0.540279D+01
                81            82            83            84            85 
      1  -0.225612D+02 -0.169577D+02 -0.124018D+01  0.137652D+02  0.141762D+01
      2   0.152320D+02  0.151876D+02  0.656544D+01 -0.134155D+02  0.238108D+01
      3   0.732924D+01  0.177013D+01 -0.532526D+01 -0.349705D+00 -0.379871D+01
      4  -0.193559D+02  0.560533D+00  0.979104D+01  0.243634D+01  0.907018D+01
      5   0.973616D+01  0.619578D+01 -0.262193D+01  0.160619D+01 -0.567680D+01
      6   0.792380D+01  0.903141D+01 -0.635359D+01  0.292162D+01 -0.366510D+01
                86            87            88            89            90 
      1   0.104693D+02  0.457761D+01  0.160701D+02  0.102785D+02  0.141341D+02
      2  -0.591800D+01 -0.829275D+01 -0.152670D+02 -0.163943D+02 -0.160861D+02
      3  -0.455129D+01  0.371514D+01 -0.803161D+00  0.611581D+01  0.195203D+01
      4  -0.340873D+01 -0.118489D+02  0.116811D+01 -0.170021D+02 -0.259584D+01
      5  -0.602381D+01 -0.310508D+01  0.359299D+01 -0.487591D+01 -0.350499D+00
      6  -0.166381D+02 -0.133847D+02  0.347887D+01 -0.185398D+02 -0.270795D+01
                91            92            93            94            95 
      1  -0.565730D+02 -0.285653D+02 -0.141585D+02 -0.107919D+02  0.176124D+02
      2   0.242764D+02  0.224093D+02  0.108456D+02  0.127935D+02 -0.286838D+01
      3   0.322967D+02  0.615603D+01  0.331293D+01 -0.200153D+01 -0.147440D+02
      4  -0.249437D+02  0.156890D+02 -0.496227D+01  0.195444D+02  0.151552D+02
      5  -0.123630D+02 -0.221366D+01  0.125569D+02 -0.165392D+01 -0.767690D+01
      6  -0.605380D+01  0.199802D+01  0.740209D+01 -0.482733D+00 -0.857500D+01
                96            97            98            99           100 
      1   0.333862D+01 -0.214446D+02  0.613533D+00  0.195970D+02  0.502780D+02
      2  -0.727533D+01  0.116732D+02 -0.100802D+02 -0.856789D+01 -0.260475D+02
      3   0.393670D+01  0.977144D+01  0.946664D+01 -0.110291D+02 -0.242305D+02
      4  -0.618342D+01 -0.624636D+01 -0.510060D+01 -0.124743D+02  0.224187D+02
      5  -0.902371D+01  0.490010D+01 -0.148128D+02  0.242803D+02  0.220939D+02
      6  -0.292138D+01  0.269241D+01 -0.106739D+02  0.126570D+02  0.512365D+01
               101           102           103           104           105 
      1   0.894808D+01  0.182314D+02  0.287562D+01  0.422706D+01 -0.617967D+00
      2  -0.254998D+01 -0.102074D+02  0.318947D+00 -0.103345D+01  0.162359D+01
      3  -0.639809D+01 -0.802400D+01 -0.319456D+01 -0.319361D+01 -0.100562D+01
      4   0.133262D+02  0.723978D+01  0.102624D+02  0.398544D+01  0.503951D+01
      5   0.338399D+01  0.186456D+02  0.128895D+01  0.513441D+01  0.290597D+01
      6   0.187066D+01  0.522222D+01  0.224700D+01  0.225249D+01  0.378968D+01
               106           107           108           109           110 
      1   0.305965D+02  0.289226D+01  0.161693D+02  0.221428D+02  0.793915D+01
      2  -0.174889D+02  0.746924D+00 -0.124692D+02 -0.125862D+02 -0.354152D+01
      3  -0.131076D+02 -0.363919D+01 -0.370006D+01 -0.955660D+01 -0.439763D+01
      4   0.136039D+02  0.110158D+02  0.112803D+02  0.169458D+02  0.105905D+02
      5   0.249584D+02  0.709290D+01  0.204759D+02 -0.161638D+02 -0.679124D+01
      6   0.704797D+01  0.473700D+01  0.611206D+01 -0.700313D+01 -0.422333D+01
               111           112           113           114           115 
      1  -0.770859D+01  0.679529D+01 -0.927438D+00 -0.104440D+01 -0.169840D+02
      2   0.536489D+01 -0.220808D+01  0.387443D+01 -0.837042D+00  0.123173D+02
      3   0.234370D+01 -0.458721D+01 -0.294700D+01  0.188144D+01  0.466665D+01
      4  -0.858143D+01  0.129168D+02  0.102960D+02 -0.105089D+02 -0.191076D+02
      5   0.177104D+02 -0.745419D+01 -0.915001D+01  0.892704D+01  0.306224D+02
      6   0.613004D+01 -0.597790D+01 -0.675253D+01  0.825569D+01  0.128420D+02
               116           117           118           119           120 
      1  -0.233152D+01  0.845478D+01 -0.883597D+00  0.107155D+00 -0.134124D+01
      2  -0.502858D+00 -0.135398D+02 -0.545012D+01  0.970259D+00 -0.415298D+01
      3   0.283437D+01  0.508505D+01  0.633372D+01 -0.107741D+01  0.549422D+01
      4  -0.184780D+02  0.182585D+02 -0.396862D+00  0.404369D+01  0.432258D+00
      5   0.143017D+02 -0.351348D+02  0.809266D+01 -0.892702D+00  0.116068D+02
      6   0.113157D+02 -0.167261D+02  0.283087D+00  0.140471D+01  0.135524D+00
               121           122           123           124           125 
      1   0.580898D+01 -0.448004D+01  0.277126D+01 -0.818153D+01  0.465051D+00
      2  -0.151277D+01 -0.296791D+00  0.118917D+01 -0.562070D+01  0.327037D+01
      3  -0.429621D+01  0.477683D+01 -0.396043D+01  0.138022D+02 -0.373542D+01
      4   0.377257D+01  0.430894D+00  0.284861D+01  0.117337D+01  0.407346D+01
      5  -0.145835D+01  0.299145D+01 -0.205225D+01  0.164512D+02 -0.264543D+01
      6   0.158273D+01 -0.161157D+01  0.669813D+01  0.146677D+01  0.489983D+01
               126           127           128           129           130 
      1  -0.232179D+02 -0.309842D+01  0.758231D+01 -0.524901D+01  0.455044D+01
      2  -0.182627D+02  0.290211D+01 -0.980726D+01  0.476165D+01 -0.525029D+01
      3   0.414805D+02  0.196308D+00  0.222496D+01  0.487361D+00  0.699852D+00
      4  -0.530167D+00 -0.512923D+01  0.311329D+00 -0.224033D+01  0.222192D+01
      5   0.225315D+02 -0.359510D+00  0.544303D+00 -0.782922D+00  0.325048D+00
      6   0.589604D+00 -0.551671D+01  0.375863D+01 -0.562394D+01  0.255150D+01
               131           132           133           134           135 
      1  -0.128279D+02  0.477107D+01 -0.873480D+01  0.952935D+01 -0.131226D+02
      2   0.153256D+02 -0.483078D+01  0.600381D+01 -0.109021D+02  0.880702D+01
      3  -0.249768D+01  0.597123D-01  0.273099D+01  0.137276D+01  0.431556D+01
      4   0.330762D+00  0.794618D+00 -0.505938D+01 -0.895608D+00 -0.775428D+00
      5  -0.803473D+00  0.165710D+01 -0.282301D-01  0.243407D+01 -0.409130D+01
      6  -0.461963D+01  0.855639D+01 -0.439549D+01  0.111312D+02 -0.126553D+02
               136           137           138           139           140 
      1  -0.775793D+00  0.343057D+01  0.455673D+00  0.238478D+01 -0.299552D+02
      2   0.229616D+01 -0.182823D+01  0.492742D+00  0.313120D+00  0.402149D+02
      3  -0.152037D+01 -0.160235D+01 -0.948415D+00 -0.269790D+01 -0.102597D+02
      4   0.504937D+01  0.750929D+01  0.326316D+01  0.815940D+01  0.200192D+02
      5   0.103911D+01  0.304246D+01  0.356324D+01  0.252713D+01  0.853013D+01
      6   0.331491D+01  0.103312D+01 -0.166611D+00  0.162316D+01  0.256148D+02
               141           142           143           144           145 
      1  -0.143015D+02  0.263782D+00 -0.206673D+02 -0.175669D+02 -0.754093D+01
      2   0.156933D+02  0.199311D+01  0.221616D+02  0.122960D+02  0.663727D+01
      3  -0.139181D+01 -0.225690D+01 -0.149432D+01  0.527087D+01  0.903657D+00
      4   0.916470D+01  0.542314D+01  0.141030D+02  0.873892D+01  0.265008D+01
      5   0.596533D+01  0.340293D+01  0.919197D+01  0.822601D+01  0.366090D+01
      6   0.186172D+02  0.896014D+00  0.243806D+02  0.210287D+02  0.572546D+01
               146           147           148           149           150 
      1  -0.105677D+02 -0.645012D+01 -0.852189D+01 -0.211278D+02 -0.677745D+01
      2   0.117953D+02  0.165171D+01  0.100498D+02  0.243067D+02  0.170328D+01
      3  -0.122762D+01  0.479841D+01 -0.152787D+01 -0.317891D+01  0.507417D+01
      4  -0.184130D+00  0.115629D+01  0.262250D+01 -0.616295D+01 -0.224110D+01
      5   0.431371D+01  0.228283D+01  0.641881D+01  0.248069D+01 -0.243322D+01
      6   0.964217D+01  0.384079D+01  0.663544D+01  0.172907D+02  0.932966D+01
               151           152           153           154           155 
      1  -0.170134D+01 -0.853954D+00 -0.237488D+01 -0.614200D+01  0.252520D+01
      2  -0.165043D+00 -0.169270D+01  0.791469D+00 -0.159059D+01  0.300428D+01
      3   0.186639D+01  0.254665D+01  0.158341D+01  0.773260D+01 -0.552948D+01
      4   0.115249D+01  0.256095D+00 -0.510191D+00  0.255746D+01 -0.308952D+01
      5   0.294401D+01 -0.338155D+00 -0.494523D-01  0.204378D+01 -0.644994D+00
      6   0.159948D+01  0.511648D+01  0.192743D+01 -0.224298D+01  0.561429D+01
               156           157           158           159           160 
      1  -0.902254D+01  0.445175D+01 -0.890922D+01  0.101456D+02 -0.504019D+01
      2  -0.225404D+01  0.120019D+01  0.175193D+01  0.459051D+01 -0.131388D+01
      3   0.112766D+02 -0.565194D+01  0.715729D+01 -0.147361D+02  0.635407D+01
      4   0.307562D+01 -0.307469D+01  0.719350D+01 -0.413926D+01  0.311532D+01
      5   0.298345D+01 -0.220778D+01  0.391213D+00  0.396014D+01  0.532264D+01
      6  -0.275664D+01  0.403373D+01 -0.874144D+01  0.576959D+01 -0.316261D+01
               161           162           163           164           165 
      1   0.587422D+01 -0.994459D+01  0.164815D+02 -0.158254D+01 -0.313148D+01
      2   0.248058D+01 -0.662222D+01 -0.173482D+02  0.283614D+01  0.151191D+02
      3  -0.835480D+01  0.165668D+02  0.866704D+00 -0.125360D+01 -0.119877D+02
      4  -0.331876D+01  0.342893D+01 -0.131052D+02  0.102108D+02  0.975640D+01
      5  -0.291790D+00 -0.226755D+01 -0.323310D+02  0.102743D+02  0.307909D+02
      6   0.639139D+01 -0.438954D+01  0.830302D+01 -0.758883D+01 -0.979106D+01
               166           167           168           169           170 
      1  -0.116896D+01 -0.183052D+01 -0.142581D+01 -0.405062D+01 -0.111495D+01
      2   0.187660D+01  0.564870D+00 -0.644071D+00  0.123149D+02 -0.168951D+01
      3  -0.707635D+00  0.126565D+01  0.206988D+01 -0.826432D+01  0.280446D+01
      4   0.733623D+01 -0.589752D+01 -0.692497D+01  0.820070D+01 -0.653632D+01
      5   0.630290D+01 -0.707812D+01 -0.616278D+01  0.241961D+02 -0.829057D+01
      6  -0.478522D+01  0.609916D+01  0.792847D+01 -0.745163D+01  0.776434D+01
               171           172           173           174           175 
      1  -0.305292D+01  0.157471D+02 -0.229176D+01  0.907738D+01  0.478608D+01
      2  -0.161976D+02 -0.113573D+02  0.977547D+00 -0.102516D+02 -0.347315D+01
      3   0.192505D+02 -0.438972D+01  0.131422D+01  0.117425D+01 -0.131294D+01
      4  -0.831420D+01 -0.607491D+01  0.381743D+01 -0.138317D+01  0.938449D+00
      5  -0.285691D+02  0.139791D+02  0.885754D+00  0.189209D+02  0.613447D+01
      6   0.106083D+02 -0.297373D+01  0.308358D+00 -0.572412D+01 -0.305951D+00
               176           177           178           179           180 
      1  -0.183863D+01  0.434039D+01  0.140012D+02  0.268562D+01  0.800395D+01
      2   0.954699D-01 -0.690785D+01 -0.143369D+02 -0.507850D+01 -0.234427D+02
      3   0.174316D+01  0.256746D+01  0.335697D+00  0.239288D+01  0.154388D+02
      4   0.369953D+01  0.406538D+01 -0.531264D+01  0.922184D+01 -0.495342D+01
      5   0.437759D+01  0.865943D+01  0.260074D+02 -0.118964D+01  0.451369D+02
      6   0.333343D+00  0.176428D+01 -0.789830D+01  0.563561D+01 -0.161985D+02
               181           182           183           184           185 
      1  -0.835773D+01 -0.199375D+02  0.233578D+01 -0.149587D+02 -0.329435D+02
      2   0.851111D+01  0.223057D+02 -0.249657D+01  0.111284D+02  0.451523D+02
      3  -0.153384D+00 -0.236818D+01  0.160795D+00  0.383024D+01 -0.122088D+02
      4   0.103871D+01 -0.714562D+01  0.326365D+01  0.549099D+01 -0.266127D+02
      5  -0.293772D+01  0.167618D+01 -0.117861D+01 -0.106208D+01  0.231417D+01
      6  -0.106332D+01 -0.627144D+01  0.471147D+01 -0.252430D+01 -0.117406D+02
               186           187           188           189           190 
      1   0.646891D+01 -0.862800D-02  0.622869D+01 -0.340623D+01  0.595016D+02
      2  -0.567568D+01 -0.142424D+01 -0.440555D+01  0.241809D+01 -0.234000D+02
      3  -0.793224D+00  0.143287D+01 -0.182314D+01  0.988140D+00 -0.361016D+02
      4   0.342172D+01  0.205596D+01  0.123034D+01 -0.321165D+01 -0.393589D+02
      5  -0.458359D+01  0.306285D+01 -0.336133D+01  0.425427D+01 -0.134278D+02
      6   0.874479D+01  0.800773D+00  0.782823D+01 -0.409309D+01  0.673764D+01
               191           192           193           194           195 
      1  -0.186188D+02 -0.136932D+02 -0.118022D+02  0.477128D+01  0.380251D+01
      2   0.313990D+01  0.430854D+01  0.480673D+00  0.511010D+01 -0.119039D-01
      3   0.154789D+02  0.938467D+01  0.113215D+02 -0.988137D+01 -0.379061D+01
      4   0.237566D+02  0.974850D+01  0.191159D+02 -0.162823D+02 -0.644518D+01
      5   0.539704D+01  0.153137D+02  0.425079D+01 -0.464868D+01 -0.257233D+01
      6  -0.366503D+01 -0.726114D+01 -0.352741D+01  0.183720D+01  0.348275D+01
               196           197           198           199           200 
      1  -0.270426D+02  0.844844D+01  0.117916D+02  0.398131D+00  0.164985D+01
      2   0.939992D+01  0.342870D+00 -0.724789D+01 -0.791607D+00 -0.135048D+00
      3   0.176427D+02 -0.879131D+01 -0.454374D+01  0.393477D+00 -0.151480D+01
      4   0.213782D+02 -0.167378D+02 -0.931811D+01  0.364916D+01  0.505890D+01
      5   0.172410D+02 -0.634082D+01 -0.121104D+02 -0.112078D+01 -0.188292D+01
      6  -0.810738D+01  0.454846D+01  0.658838D+01 -0.224307D+01 -0.617693D+00
               201           202           203           204           205 
      1  -0.131149D+01  0.314263D+01 -0.126972D+02  0.595248D+01 -0.143958D+01
      2   0.538603D+00 -0.104320D+01  0.127974D+02 -0.228156D+01  0.284957D+01
      3   0.772891D+00 -0.209944D+01 -0.100194D+00 -0.367092D+01 -0.140999D+01
      4  -0.103563D+01  0.550573D+01  0.887706D+01 -0.290096D+01 -0.114959D+01
      5   0.122398D+01 -0.238293D+01 -0.369784D+01  0.260939D+01  0.191743D+01
      6   0.450027D+00 -0.685965D+00 -0.106081D+02  0.648291D+01  0.202126D+01
               206           207           208           209           210 
      1   0.473872D+01 -0.137164D+01 -0.261622D+00 -0.148834D+01  0.401173D+00
      2  -0.243994D+01  0.600346D+00  0.222542D+01  0.907820D+00 -0.152832D+00
      3  -0.229877D+01  0.771298D+00 -0.196380D+01  0.580519D+00 -0.248341D+00
      4  -0.131565D+01  0.509442D+00 -0.138262D+01  0.509842D+01 -0.105234D+01
      5   0.169424D+01 -0.399625D+00  0.102715D+01 -0.529675D+00  0.698748D+00
      6   0.450341D+01 -0.356831D+01 -0.596727D+00  0.112804D+01 -0.128329D+00
               211           212           213           214           215 
      1  -0.543300D+01 -0.203386D+02  0.308698D+01  0.262898D+01  0.483370D+01
      2   0.253368D+01  0.262252D+02 -0.292649D+01 -0.325063D+00 -0.517824D+01
      3   0.289932D+01 -0.588664D+01 -0.160493D+00 -0.230392D+01  0.344534D+00
      4   0.369580D+01 -0.196657D+02  0.290113D+01 -0.161082D+01  0.509406D+01
      5  -0.539012D+00  0.216207D+01 -0.268797D+01 -0.861569D+00 -0.224064D+01
      6   0.488519D+00 -0.166326D+01  0.505543D+01  0.159533D+01  0.364606D+01
               216           217           218           219           220 
      1  -0.395055D+01  0.479576D+01  0.628920D+01 -0.585626D+01  0.472985D+01
      2   0.300956D+01 -0.348163D+01 -0.476725D+01  0.188419D+01 -0.235408D+01
      3   0.940997D+00 -0.131413D+01 -0.152195D+01  0.397206D+01 -0.237577D+01
      4  -0.272818D+01  0.206285D+01 -0.339986D+01 -0.923597D+00  0.284804D+01
      5   0.169062D+01 -0.277820D+01  0.473335D+00 -0.843829D+00 -0.277220D+00
      6  -0.224673D+01 -0.211925D+01  0.121831D+01 -0.275179D+01 -0.820079D+00
               221           222           223           224           225 
      1  -0.785014D+01  0.456102D+01 -0.964049D+01  0.501235D+01 -0.165024D+02
      2   0.659483D+01 -0.356974D+01  0.506295D+01 -0.314432D+01 -0.373402D+01
      3   0.125530D+01 -0.991284D+00  0.457754D+01 -0.186802D+01  0.202364D+02
      4   0.825871D+01 -0.596858D+01 -0.100958D+02 -0.162067D+02  0.138090D+02
      5  -0.645479D+01  0.863345D+01  0.906977D+01  0.158638D+02 -0.430340D+02
      6  -0.539909D+01  0.942084D+01  0.305069D+01  0.135228D+02 -0.230377D+02
               226           227           228           229           230 
      1   0.851038D+02  0.199716D+02  0.585762D+01  0.749805D+01  0.742094D+01
      2  -0.386836D+02 -0.508646D+01 -0.254912D+01  0.377105D+00 -0.150086D+00
      3  -0.464202D+02 -0.148852D+02 -0.330851D+01 -0.787515D+01 -0.727086D+01
      4   0.425653D+02  0.235128D+02  0.326336D+01  0.146706D+02  0.939836D+01
      5   0.308882D+01  0.110371D+01  0.129755D+02  0.750633D+00  0.187371D+01
      6   0.289793D+01  0.583257D+00  0.452214D+01  0.807505D-02  0.106507D+01
               231           232           233           234           235 
      1   0.309394D+00  0.125651D+02  0.273808D+01  0.719343D+01 -0.585212D+01
      2   0.942591D+00 -0.616246D+01  0.258822D+00 -0.441529D+01  0.552153D+01
      3  -0.125199D+01 -0.640263D+01 -0.299691D+01 -0.277815D+01  0.330587D+00
      4   0.226242D+01  0.711406D+01  0.526253D+01  0.637847D+01 -0.962114D+00
      5   0.237792D+01  0.117872D+02  0.501926D+01  0.262478D+01  0.422832D+01
      6   0.231159D+01  0.381779D+01  0.323256D+01  0.779368D+00  0.344242D+01
               236           237           238           239           240 
      1   0.149410D+02  0.884334D+01  0.151028D+02 -0.210266D+02 -0.837299D+01
      2  -0.153376D+02 -0.613188D+01 -0.988320D+01  0.265088D+02  0.929276D+01
      3   0.396595D+00 -0.271146D+01 -0.521961D+01 -0.548217D+01 -0.919775D+00
      4  -0.102164D+02 -0.356137D+00  0.283702D+01  0.204813D+02  0.613309D+01
      5  -0.216094D+01 -0.575796D+01 -0.298556D+01  0.747282D+01  0.977821D+01
      6  -0.426708D+01 -0.545017D+01 -0.198929D+01  0.831494D+01  0.850447D+01
               241           242           243 
      1   0.109930D+02 -0.997610D+01 -0.126839D+02
      2  -0.558905D+01  0.123677D+02  0.787748D+01
      3  -0.540392D+01 -0.239163D+01  0.480642D+01
      4   0.356983D+01  0.126173D+02  0.845790D+01
      5  -0.723305D+00  0.104777D+02  0.725354D+01
      6  -0.185752D+01  0.110254D+02  0.778043D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163455D+01      0.415461D+01      0.138583D+02
   x         -0.136998D+01     -0.348215D+01     -0.116152D+02
   y          0.776975D+00      0.197487D+01      0.658747D+01
   z         -0.437281D+00     -0.111146D+01     -0.370743D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122976D+03      0.182231D+02      0.202760D+02
   aniso      0.549590D+02      0.814409D+01      0.906152D+01
   xx         0.156905D+03      0.232509D+02      0.258702D+02
   yx        -0.462895D+01     -0.685940D+00     -0.763211D+00
   yy         0.114848D+03      0.170188D+02      0.189360D+02
   zx         0.596254D+01      0.883557D+00      0.983090D+00
   zy        -0.288982D+01     -0.428228D+00     -0.476467D+00
   zz         0.971737D+02      0.143997D+02      0.160218D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130858D+03      0.193912D+02      0.215756D+02
   aniso      0.595776D+02      0.882848D+01      0.982301D+01
   xx         0.167536D+03      0.248263D+02      0.276230D+02
   yx        -0.588681D+01     -0.872335D+00     -0.970604D+00
   yy         0.121636D+03      0.180246D+02      0.200550D+02
   zx         0.678872D+01      0.100598D+01      0.111931D+01
   zy        -0.321614D+01     -0.476583D+00     -0.530270D+00
   zz         0.103402D+03      0.153226D+02      0.170487D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -3.25828751         -1.60403783          2.31617098
     6         -1.72098024          0.55428703          3.44641798
     6          0.26591024          1.68261315          1.52388986
     6          1.43187682         -0.02015056         -0.36939875
     6          1.13284566          0.11599839         -2.87029308
     6          2.28446542         -1.62000062         -4.72581015
     8          1.89301693         -1.31764368         -6.97168727
     6         -0.69457599         -0.15382937          6.02980068
     6         -3.14392032          3.11696354          3.24241318
     6         -1.68826356          3.71295013          0.78045115
     6          3.93975388         -3.76686357         -3.80415890
     1         -2.62719622          4.39587902          4.77417625
     1         -5.19824159          3.01839374          3.12474761
     1          1.77701792          2.54479182          2.64517050
     1         -2.76358812          3.18124153         -0.89227968
     1         -0.98924335          5.63085893          0.52448708
     1         -2.12793452         -3.32245080          2.14516953
     1         -3.97308384         -1.13885836          0.43952474
     1         -4.87627538         -2.02696389          3.52651795
     1          0.38898263          1.39678099          6.85383386
     1          0.54102174         -1.80609607          5.91376835
     1         -2.23151403         -0.61661695          7.33026176
     1          2.61443634         -1.50818162          0.40862760
     1         -0.02314221          1.58102255         -3.71462694
     1          5.56453707         -3.04397450         -2.75734295
     1          4.59671110         -4.83960913         -5.42816625
     1          2.89043963         -5.01265132         -2.53726585

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163455D+01      0.415461D+01      0.138583D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163455D+01      0.415461D+01      0.138583D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122976D+03      0.182231D+02      0.202760D+02
   aniso      0.549590D+02      0.814409D+01      0.906152D+01
   xx         0.106560D+03      0.157905D+02      0.175694D+02
   yx        -0.120329D+02     -0.178309D+01     -0.198395D+01
   yy         0.112143D+03      0.166178D+02      0.184898D+02
   zx        -0.145664D+02     -0.215852D+01     -0.240168D+01
   zy         0.922995D+01      0.136774D+01      0.152181D+01
   zz         0.150225D+03      0.222610D+02      0.247687D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130858D+03      0.193912D+02      0.215756D+02
   aniso      0.595776D+02      0.882848D+01      0.982301D+01
   xx         0.112921D+03      0.167331D+02      0.186181D+02
   yx        -0.123424D+02     -0.182896D+01     -0.203499D+01
   yy         0.118526D+03      0.175637D+02      0.195423D+02
   zx        -0.154237D+02     -0.228556D+01     -0.254303D+01
   zy         0.989373D+01      0.146610D+01      0.163126D+01
   zz         0.161128D+03      0.238767D+02      0.265664D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U22-32\Freq\RLC-PBEPBE\Gen\C10H16O1\PIERPA\16-Aug-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=03000000
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 Where a calculator on the ENIAC is equipped with 18,000
 vacuum tubes and weighs 30 tons, computers inthe future
 may  have only 1,000 vacuum tubes and weigh only 1 1/2 tons.
              ---Popular Mechanics, March 1949
 Job cpu time:       0 days  7 hours 59 minutes 14.7 seconds.
 Elapsed time:       0 days  1 hours  0 minutes  3.7 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 22:24:22 2021.
